NP-MRD: Showing NP-Card for 3β-hydroxy-20,21-seco-30-nortaraxastan-20-oic-21-oate (NP0332603)

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Record Information

Version

1.0

Created at

2024-03-08 20:00:22 UTC

Updated at

2024-04-19 10:12:11 UTC

NP-MRD ID

NP0332603

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3β-hydroxy-20,21-seco-30-nortaraxastan-20-oic-21-oate

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03082420002D          

 39 42  0  0  1  0            999 V2000
    4.4709   -1.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7651   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4731   -0.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052    0.2566    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1154    0.1007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2251    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850    0.5684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4149    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550   -0.2111    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2251   -0.9907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4149   -0.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048   -0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347    0.1007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7946   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.7243    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0647    0.8802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048    1.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7946    1.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546    1.0361    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    0.2566    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2849   -0.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9845   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957    0.5684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6160    1.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165    0.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5244    0.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5116    1.4156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2195    1.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2452    0.1894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444    1.1921    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9845    1.8157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744    1.9716    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6358    2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444    3.3748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    2.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10  2  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16  8  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 14  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  2  0  0  0  0
 33 26  1  0  0  0  0
 33 20  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
M  END


  Mrv2104 03082420002D          

 39 42  0  0  1  0            999 V2000
    4.4709   -1.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7651   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4731   -0.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052    0.2566    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1154    0.1007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0352    1.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2251    1.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6850    0.5684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4149    1.3480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9550   -0.2111    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2251   -0.9907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4149   -0.8348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048   -0.6789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3347    0.1007    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7946   -0.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748    0.7243    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0647    0.8802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6048    1.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7946    1.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546    1.0361    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    0.2566    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2849   -0.5328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9845   -0.3671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744   -0.2111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957    0.5684    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6160    1.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8165    0.1671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5244    0.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5116    1.4156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2195    1.8392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2452    0.1894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444    1.1921    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9845    1.8157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1744    1.9716    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6358    2.1275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444    3.3748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    2.4393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  2  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  6  0  0  0
  8 10  1  0  0  0  0
 10  2  1  0  0  0  0
 10 11  1  1  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  6  0  0  0
 14 16  1  0  0  0  0
 16  8  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  1  6  0  0  0
 20 22  1  0  0  0  0
 22 14  1  0  0  0  0
 22 23  1  1  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 26 25  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  2  0  0  0  0
 33 26  1  0  0  0  0
 33 20  1  0  0  0  0
 33 34  1  1  0  0  0
 33 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0332603

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@](C)(CC(=O)OC)[C@]2([H])[C@H](C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H50O5/c1-18(25(33)34)24-19-9-10-21-28(5)13-12-22(31)26(2,3)20(28)11-14-30(21,7)29(19,6)16-15-27(24,4)17-23(32)35-8/h18-22,24,31H,9-17H2,1-8H3,(H,33,34)/t18-,19+,20-,21+,22-,24+,27-,28-,29+,30+/m0/s1

> <INCHI_KEY>
RRDQQTVHRWWWAT-YXMRXLMESA-N

> <FORMULA>
C30H50O5

> <MOLECULAR_WEIGHT>
490.725

> <EXACT_MASS>
490.36582471

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
57.58640713385316

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-[(1S,2S,4aR,4bR,6aR,8S,10aR,10bR,12aR)-8-hydroxy-2-(2-methoxy-2-oxoethyl)-2,4a,4b,7,7,10a-hexamethyl-octadecahydrochrysen-1-yl]propanoic acid

> <JCHEM_LOGP>
5.733776806333331

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
19.48943339017772

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.64551474584615

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8351229939283041

> <JCHEM_POLAR_SURFACE_AREA>
83.83000000000001

> <JCHEM_REFRACTIVITY>
136.51020000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[(1S,2S,4aR,4bR,6aR,8S,10aR,10bR,12aR)-8-hydroxy-2-(2-methoxy-2-oxoethyl)-2,4a,4b,7,7,10a-hexamethyl-dodecahydro-1H-chrysen-1-yl]propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 08-MAR-24   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-MAR-24         0                                  
HETATM    1  C   UNK     0       8.346  -2.124   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.895  -0.685   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.216  -1.476   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       9.903   0.479   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      11.415   0.188   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       9.399   1.934   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.887   2.225   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.879   1.061   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.375   2.516   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       7.383  -0.394   0.000  0.00  0.00           C+0
HETATM   11  H   UNK     0       7.887  -1.849   0.000  0.00  0.00           H+0
HETATM   12  C   UNK     0       6.375  -1.558   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.862  -1.267   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.358   0.188   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.350  -0.976   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.366   1.352   0.000  0.00  0.00           C+0
HETATM   17  H   UNK     0       3.854   1.643   0.000  0.00  0.00           H+0
HETATM   18  C   UNK     0       4.862   2.807   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.350   3.098   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.342   1.934   0.000  0.00  0.00           C+0
HETATM   21  H   UNK     0       1.334   0.770   0.000  0.00  0.00           H+0
HETATM   22  C   UNK     0       2.846   0.479   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.398  -0.995   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.838  -0.685   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.326  -0.394   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -0.179   1.061   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -1.150   2.256   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.524   0.312   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.846   1.103   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -2.822   2.642   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      -4.143   3.433   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -4.191   0.354   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       0.830   2.225   0.000  0.00  0.00           C+0
HETATM   34  H   UNK     0       1.838   3.389   0.000  0.00  0.00           H+0
HETATM   35  C   UNK     0       0.326   3.680   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -1.187   3.971   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.334   4.844   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       0.830   6.300   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       2.846   4.553   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4   10                                             
CONECT    3    2                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10   16                                             
CONECT    9    8                                                            
CONECT   10    8    2   11   12                                             
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16   22                                             
CONECT   15   14                                                            
CONECT   16   14    8   17   18                                             
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22   33                                             
CONECT   21   20                                                            
CONECT   22   20   14   23   24                                             
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28   33                                             
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30   32                                                  
CONECT   30   29   31                                                       
CONECT   31   30                                                            
CONECT   32   29                                                            
CONECT   33   26   20   34   35                                             
CONECT   34   33                                                            
CONECT   35   33   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₅₀O₅

Average Mass

490.7250 Da

Monoisotopic Mass

490.36582 Da

IUPAC Name

(2S)-2-[(1S,2S,4aR,4bR,6aR,8S,10aR,10bR,12aR)-8-hydroxy-2-(2-methoxy-2-oxoethyl)-2,4a,4b,7,7,10a-hexamethyl-octadecahydrochrysen-1-yl]propanoic acid

Traditional Name

(2S)-2-[(1S,2S,4aR,4bR,6aR,8S,10aR,10bR,12aR)-8-hydroxy-2-(2-methoxy-2-oxoethyl)-2,4a,4b,7,7,10a-hexamethyl-dodecahydro-1H-chrysen-1-yl]propanoic acid

CAS Registry Number

Not Available

SMILES

[H][C@]12CC[C@]3([H])[C@@]4(C)CC[C@H](O)C(C)(C)[C@]4([H])CC[C@@]3(C)[C@]1(C)CC[C@@](C)(CC(=O)OC)[C@]2([H])[C@H](C)C(O)=O

InChI Identifier

InChI=1S/C30H50O5/c1-18(25(33)34)24-19-9-10-21-28(5)13-12-22(31)26(2,3)20(28)11-14-30(21,7)29(19,6)16-15-27(24,4)17-23(32)35-8/h18-22,24,31H,9-17H2,1-8H3,(H,33,34)/t18-,19+,20-,21+,22-,24+,27-,28-,29+,30+/m0/s1

InChI Key

RRDQQTVHRWWWAT-YXMRXLMESA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
ROESY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)	shtwangxin@buu.edu.cn	Beijing Union University	Xin Wang	2024-03-08	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)	shtwangxin@buu.edu.cn	Beijing Union University	Xin Wang	2024-03-08	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)	shtwangxin@buu.edu.cn	Beijing Union University	Xin Wang	2024-03-08	View Spectrum
1D NMR	[¹H, ] NMR Spectrum (2D, 500 MHz, C5D5N, experimental)	shtwangxin@buu.edu.cn	Beijing Union University	Xin Wang	2024-03-08	View Spectrum
1D NMR	[¹³C, ] NMR Spectrum (2D, 126 MHz, C5D5N, experimental)	shtwangxin@buu.edu.cn	Beijing Union University	Xin Wang	2024-03-08	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125.752760438 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500.063088075 MHz, C₅D₅N, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	5.73	ChemAxon
pKa (Strongest Acidic)	4.65	ChemAxon
pKa (Strongest Basic)	-0.84	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	83.83 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	136.51 m³·mol⁻¹	ChemAxon
Polarizability	57.59 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

Not Available

References

General References

Not Available

Showing NP-Card for 3β-hydroxy-20,21-seco-30-nortaraxastan-20-oic-21-oate (NP0332603)

MOL for NP0332603 (3β-hydroxy-20,21-seco-30-nortaraxastan-20-oic-21-oate)

3D MOL for NP0332603 (3β-hydroxy-20,21-seco-30-nortaraxastan-20-oic-21-oate)

3D SDF for NP0332603 (3β-hydroxy-20,21-seco-30-nortaraxastan-20-oic-21-oate)

3D-SDF for NP0332603 (3β-hydroxy-20,21-seco-30-nortaraxastan-20-oic-21-oate)

PDB for NP0332603 (3β-hydroxy-20,21-seco-30-nortaraxastan-20-oic-21-oate)

3D PDB for NP0332603 (3β-hydroxy-20,21-seco-30-nortaraxastan-20-oic-21-oate)

SMILES for NP0332603 (3β-hydroxy-20,21-seco-30-nortaraxastan-20-oic-21-oate)

INCHI for NP0332603 (3β-hydroxy-20,21-seco-30-nortaraxastan-20-oic-21-oate)

Structure for NP0332603 (3β-hydroxy-20,21-seco-30-nortaraxastan-20-oic-21-oate)

3D Structure for NP0332603 (3β-hydroxy-20,21-seco-30-nortaraxastan-20-oic-21-oate)