| SpectraBase Compound ID | 99i3pHCVK9A |
|---|---|
| InChI | InChI=1S/C22H35BrO4/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h12-17,19,24-25,27H,4-11H2,1-3H3/t12-,13?,14+,15?,16?,17-,19?,20+,21+,22+/m0/s1 |
| InChIKey | BZNCIXUCGDETFO-DFQANEMDSA-N |
| Mol Weight | 443.4 g/mol |
| Molecular Formula | C22H35BrO4 |
| Exact Mass | 442.171873 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JecUDOzbqYt |
|---|---|
| Name | 21-BROMO-3B,11A,17A-TRIHYDROXY-16A-METHYL-5A-PREGNAN-20-ONE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C22H35BrO4 |
| InChI | InChI=1S/C22H35BrO4/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h12-17,19,24-25,27H,4-11H2,1-3H3/t12-,13?,14+,15?,16?,17-,19?,20+,21+,22+/m0/s1 |
| InChIKey | BZNCIXUCGDETFO-DFQANEMDSA-N |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |