| SpectraBase Compound ID | 7Pb9BUqChQp |
|---|---|
| InChI | InChI=1S/C27H42O3/c1-17(2)9-8-14-27(5,30)22-12-11-19-23-20(28)15-18-10-6-7-13-25(18,3)24(23)21(29)16-26(19,22)4/h7,13,17-19,22-24,30H,6,8-12,14-16H2,1-5H3/t18-,19-,22-,23+,24-,25-,26-,27-/m0/s1 |
| InChIKey | RZWSJYQJDMMWTQ-DLOHOKAVSA-N |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313395 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F5JZrwgrIgN |
|---|---|
| Name | 5-BETA-CHOLEST-1-ENE-20-HYDROXY-7,11-DIONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H42O3 |
| InChI | InChI=1S/C27H42O3/c1-17(2)9-8-14-27(5,30)22-12-11-19-23-20(28)15-18-10-6-7-13-25(18,3)24(23)21(29)16-26(19,22)4/h7,13,17-19,22-24,30H,6,8-12,14-16H2,1-5H3/t18-,19-,22-,23+,24-,25-,26-,27-/m0/s1 |
| InChIKey | RZWSJYQJDMMWTQ-DLOHOKAVSA-N |
| Literature Reference Author | J.M.BABU,H.H.MATHUR,G.K.TRIVEDI |
| Literature Reference Citation | PHYTOCHEM.,29,2029(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85064-M |
| Molecular Weight | 414.629 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU32289 |