| SpectraBase Compound ID | 5uccDDwi91B |
|---|---|
| InChI | InChI=1S/C31H42O4/c1-20(8-7-17-32)25-13-14-26-24-12-11-22-18-23(33)15-16-30(22,2)27(24)19-28(31(25,26)3)35-29(34)21-9-5-4-6-10-21/h4-6,9-10,18,20,24-28,32H,7-8,11-17,19H2,1-3H3/t20-,24+,25-,26+,27+,28+,30+,31-/m1/s1 |
| InChIKey | FVDOTKSZFVFOHW-QTRSLAEXSA-N |
| Mol Weight | 478.7 g/mol |
| Molecular Formula | C31H42O4 |
| Exact Mass | 478.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GpjjnyCaWxg |
|---|---|
| Name | (12-ALPHA)-24-HYDROXY-12-(BENZOYLOXY)-CHOL-4-EN-3-ONE |
| Compound Number | 7A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H42O4 |
| InChI | InChI=1S/C31H42O4/c1-20(8-7-17-32)25-13-14-26-24-12-11-22-18-23(33)15-16-30(22,2)27(24)19-28(31(25,26)3)35-29(34)21-9-5-4-6-10-21/h4-6,9-10,18,20,24-28,32H,7-8,11-17,19H2,1-3H3/t20-,24+,25-,26+,27+,28+,30+,31-/m1/s1 |
| InChIKey | FVDOTKSZFVFOHW-QTRSLAEXSA-N |
| Literature Reference Author | G.P.TOCHTROP,G.T.D.KOSTER,D.P.CISTOLA,D.F.COVEY |
| Literature Reference Citation | J.ORG.CHEM.,67,6764(2002) |
| Literature Reference DOI | 10.1021/jo0259109 |
| Molecular Weight | 478.672 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSI22094 |