Record Information |
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Version | 1.0 |
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Created at | 2022-04-29 03:03:09 UTC |
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Updated at | 2022-04-29 03:03:09 UTC |
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NP-MRD ID | NP0081998 |
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Secondary Accession Numbers | None |
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Natural Product Identification |
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Common Name | (+)-Distolasteroside D7 |
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Description | (1R,2S,5S,7S,8S,10S,11S,12R,14R,15R)-2,15-dimethyl-14-[(2S,3E,5R)-6-methyl-5-{[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}hept-3-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadecane-5,8,10,12-tetrol belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. (+)-Distolasteroside D7 is found in Distolasterias nipon. Based on a literature review very few articles have been published on (1R,2S,5S,7S,8S,10S,11S,12R,14R,15R)-2,15-dimethyl-14-[(2S,3E,5R)-6-methyl-5-{[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}hept-3-en-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]Heptadecane-5,8,10,12-tetrol. |
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Structure | CC(C)[C@@H](O[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O)\C=C\[C@H](C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@H]3[C@@H](O)C[C@@]21O InChI=1S/C32H54O9/c1-16(2)24(41-29-27(38)26(37)23(36)15-40-29)7-6-17(3)19-13-21(34)28-31(19,5)11-9-25-30(4)10-8-18(33)12-20(30)22(35)14-32(25,28)39/h6-7,16-29,33-39H,8-15H2,1-5H3/b7-6+/t17-,18-,19+,20+,21+,22-,23+,24-,25+,26+,27+,28+,29+,30-,31+,32-/m0/s1 |
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Synonyms | Not Available |
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Chemical Formula | C32H54O9 |
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Average Mass | 582.7750 Da |
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Monoisotopic Mass | 582.37678 Da |
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IUPAC Name | (1R,2S,5S,7S,8S,10S,11S,12R,14R,15R)-2,15-dimethyl-14-[(2S,3E,5R)-6-methyl-5-{[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}hept-3-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,8,10,12-tetrol |
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Traditional Name | (1R,2S,5S,7S,8S,10S,11S,12R,14R,15R)-2,15-dimethyl-14-[(2S,3E,5R)-6-methyl-5-{[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}hept-3-en-2-yl]tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-5,8,10,12-tetrol |
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CAS Registry Number | Not Available |
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SMILES | CC(C)[C@@H](O[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O)\C=C\[C@H](C)[C@H]1C[C@@H](O)[C@@H]2[C@]1(C)CC[C@@H]1[C@@]3(C)CC[C@H](O)C[C@@H]3[C@@H](O)C[C@@]21O |
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InChI Identifier | InChI=1S/C32H54O9/c1-16(2)24(41-29-27(38)26(37)23(36)15-40-29)7-6-17(3)19-13-21(34)28-31(19,5)11-9-25-30(4)10-8-18(33)12-20(30)22(35)14-32(25,28)39/h6-7,16-29,33-39H,8-15H2,1-5H3/b7-6+/t17-,18-,19+,20+,21+,22-,23+,24-,25+,26+,27+,28+,29+,30-,31+,32-/m0/s1 |
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InChI Key | PMZOIORATNQYSA-ILSQBFFESA-N |
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Experimental Spectra |
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| Not Available | Predicted Spectra |
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| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
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1D NMR | 13C NMR Spectrum (1D, 25 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 252 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 50 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 75 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 101 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 126 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 151 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 176 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 201 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 13C NMR Spectrum (1D, 226 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Chemical Shift Submissions |
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| Not Available | Species |
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Species of Origin | |
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Chemical Taxonomy |
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Description | Belongs to the class of organic compounds known as cholesterols and derivatives. Cholesterols and derivatives are compounds containing a 3-hydroxylated cholestane core. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Steroids and steroid derivatives |
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Sub Class | Cholestane steroids |
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Direct Parent | Cholesterols and derivatives |
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Alternative Parents | |
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Substituents | - Cholesterol-skeleton
- Steroidal glycoside
- 3-beta-hydroxysteroid
- Hydroxysteroid
- 15-hydroxysteroid
- 6-hydroxysteroid
- 3-hydroxysteroid
- O-glycosyl compound
- Glycosyl compound
- Oxane
- Monosaccharide
- Tertiary alcohol
- Cyclic alcohol
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Acetal
- Organic oxygen compound
- Hydrocarbon derivative
- Organooxygen compound
- Alcohol
- Aliphatic heteropolycyclic compound
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Molecular Framework | Aliphatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | |
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