| SpectraBase Compound ID | LyWubxJUMLO |
|---|---|
| InChI | InChI=1S/C27H40O4/c1-17(2)6-5-11-26(4,31)24-23(30)15-22-20-8-7-18-14-19(29)9-12-25(18,3)21(20)10-13-27(22,24)16-28/h9,12,14,17,20-22,24,28,31H,5-8,10-11,13,15-16H2,1-4H3/t20?,21?,22?,24-,25+,26?,27-/m1/s1 |
| InChIKey | HYVXADHHWJJRCX-USHVZUMDSA-N |
| Mol Weight | 428.6 g/mol |
| Molecular Formula | C27H40O4 |
| Exact Mass | 428.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | oIZNZ7E89V |
|---|---|
| Name | (20S)-CHOLESTA-1,4-DIENE-18,20-DIOL-3-ONE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H40O4 |
| InChI | InChI=1S/C27H40O4/c1-17(2)6-5-11-26(4,31)24-23(30)15-22-20-8-7-18-14-19(29)9-12-25(18,3)21(20)10-13-27(22,24)16-28/h9,12,14,17,20-22,24,28,31H,5-8,10-11,13,15-16H2,1-4H3/t20?,21?,22?,24-,25+,26?,27-/m1/s1 |
| InChIKey | HYVXADHHWJJRCX-USHVZUMDSA-N |
| Literature Reference Author | Z.Y.SHAO,D.Y.ZHU,Y.W.GUO |
| Literature Reference Citation | J.NAT.PROD.,65,1675(2002) |
| Literature Reference DOI | 10.1021/np020087x |
| Molecular Weight | 428.612 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI7467 |