| SpectraBase Compound ID | JgJ0vMYUw0I |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-20,23,26H,5-14H2,1-4H3/t15?,16?,17-,18-,19?,20?,23?,24+,25-/m0/s1 |
| InChIKey | FNBYYFMYNRYPPC-UDFLVROWSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CqhXRIaVPpI |
|---|---|
| Name | 3A-HYDROXY-7-OXO-5B-CHOLAN-24-OATE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-20,23,26H,5-14H2,1-4H3/t15?,16?,17-,18-,19?,20?,23?,24+,25-/m0/s1 |
| InChIKey | FNBYYFMYNRYPPC-UDFLVROWSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |