| SpectraBase Compound ID | C9hd5lTSOmY |
|---|---|
| InChI | InChI=1S/C27H44O3/c1-16(2)14-23-24(30-23)17(3)27(29)13-10-22-20-7-6-18-15-19(28)8-11-25(18,4)21(20)9-12-26(22,27)5/h6,16-17,19-24,28-29H,7-15H2,1-5H3/t17?,19-,20?,21?,22?,23?,24?,25-,26-,27-/m0/s1 |
| InChIKey | OTLGIMRBKLQCNY-DZSXSYHNSA-N |
| Mol Weight | 416.6 g/mol |
| Molecular Formula | C27H44O3 |
| Exact Mass | 416.329045 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5N2dnkmFhss |
|---|---|
| Name | 17-ALPHA-HYDROXY-22,23-EPOXYCHOLEST-5-EN-3-BETA-OL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H44O3 |
| InChI | InChI=1S/C27H44O3/c1-16(2)14-23-24(30-23)17(3)27(29)13-10-22-20-7-6-18-15-19(28)8-11-25(18,4)21(20)9-12-26(22,27)5/h6,16-17,19-24,28-29H,7-15H2,1-5H3/t17?,19-,20?,21?,22?,23?,24?,25-,26-,27-/m0/s1 |
| InChIKey | OTLGIMRBKLQCNY-DZSXSYHNSA-N |
| Literature Reference Author | C.FUNEL,F.BERRUE,C.ROUSSAKIS,R.F.RODRIGUEZ,P.AMADE |
| Literature Reference Citation | J.NAT.PROD.,67,491(2004) |
| Literature Reference DOI | 10.1021/np034021t |
| Molecular Weight | 416.645 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWKP4146 |