Record Information |
---|
Version | 1.0 |
---|
Created at | 2022-09-06 21:51:58 UTC |
---|
Updated at | 2022-09-06 21:51:58 UTC |
---|
NP-MRD ID | NP0238465 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | 6-methyl-2-({7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]hexacosan-6-yl}oxy)-5-({3,4,6-trihydroxy-5-[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl decanoate |
---|
Description | 6-Methyl-2-({7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]Hexacosan-6-yl}oxy)-5-({3,4,6-trihydroxy-5-[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl decanoate belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. 6-methyl-2-({7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]hexacosan-6-yl}oxy)-5-({3,4,6-trihydroxy-5-[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl decanoate is found in Ipomoea pes-caprae. Based on a literature review very few articles have been published on 6-methyl-2-({7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0³,⁸]Hexacosan-6-yl}oxy)-5-({3,4,6-trihydroxy-5-[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl decanoate. |
---|
Structure | CCCCCCCCCC(=O)OC1C(OC2C(C)OC3OC4C(O)C(O)C(C)OC4OC(CCCCC)CCCCCCCCCC(=O)OC3C2O)OC(C)C(OC2OC(O)C(OC(=O)C(C)CC)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O InChI=1S/C60H104O25/c1-9-12-14-15-17-21-26-30-38(62)79-53-52(84-56-44(68)41(65)39(63)32(5)73-56)48(82-57-45(69)43(67)49(55(72)85-57)80-54(71)31(4)11-3)35(8)76-60(53)81-47-34(7)75-59-51(46(47)70)78-37(61)29-25-22-19-16-18-20-24-28-36(27-23-13-10-2)77-58-50(83-59)42(66)40(64)33(6)74-58/h31-36,39-53,55-60,63-70,72H,9-30H2,1-8H3 |
---|
Synonyms | Value | Source |
---|
6-Methyl-2-({7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0,]hexacosan-6-yl}oxy)-5-({3,4,6-trihydroxy-5-[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl decanoic acid | Generator |
|
---|
Chemical Formula | C60H104O25 |
---|
Average Mass | 1225.4670 Da |
---|
Monoisotopic Mass | 1224.68667 Da |
---|
IUPAC Name | 6-methyl-2-({7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0^{3,8}]hexacosan-6-yl}oxy)-5-({3,4,6-trihydroxy-5-[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl decanoate |
---|
Traditional Name | 6-methyl-2-({7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.0^{3,8}]hexacosan-6-yl}oxy)-5-({3,4,6-trihydroxy-5-[(2-methylbutanoyl)oxy]oxan-2-yl}oxy)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl decanoate |
---|
CAS Registry Number | Not Available |
---|
SMILES | CCCCCCCCCC(=O)OC1C(OC2C(C)OC3OC4C(O)C(O)C(C)OC4OC(CCCCC)CCCCCCCCCC(=O)OC3C2O)OC(C)C(OC2OC(O)C(OC(=O)C(C)CC)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O |
---|
InChI Identifier | InChI=1S/C60H104O25/c1-9-12-14-15-17-21-26-30-38(62)79-53-52(84-56-44(68)41(65)39(63)32(5)73-56)48(82-57-45(69)43(67)49(55(72)85-57)80-54(71)31(4)11-3)35(8)76-60(53)81-47-34(7)75-59-51(46(47)70)78-37(61)29-25-22-19-16-18-20-24-28-36(27-23-13-10-2)77-58-50(83-59)42(66)40(64)33(6)74-58/h31-36,39-53,55-60,63-70,72H,9-30H2,1-8H3 |
---|
InChI Key | PTPOJWMBQBCXCO-UHFFFAOYSA-N |
---|
Experimental Spectra |
---|
|
| Not Available | Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Not Available | Species |
---|
Species of Origin | |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic oxygen compounds |
---|
Class | Organooxygen compounds |
---|
Sub Class | Carbohydrates and carbohydrate conjugates |
---|
Direct Parent | Oligosaccharides |
---|
Alternative Parents | |
---|
Substituents | - Oligosaccharide
- Fatty acyl glycoside
- Macrolide
- Alkyl glycoside
- Glycosyl compound
- O-glycosyl compound
- Tricarboxylic acid or derivatives
- Fatty acid ester
- Oxane
- Fatty acyl
- Lactone
- Hemiacetal
- Secondary alcohol
- Carboxylic acid ester
- Polyol
- Acetal
- Organoheterocyclic compound
- Oxacycle
- Carboxylic acid derivative
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Alcohol
- Aliphatic heteropolycyclic compound
|
---|
Molecular Framework | Aliphatic heteropolycyclic compounds |
---|
External Descriptors | Not Available |
---|
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 | |
---|