| SpectraBase Compound ID | Ao7hSdhZnmD |
|---|---|
| InChI | InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3 |
| InChIKey | DLYVTEULDNMQAR-UHFFFAOYSA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C25H42O5 |
| Exact Mass | 422.303224 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FWCCFqPYhbS |
|---|---|
| Name | (3a,7a,12A)-Cholic acid, methyl ester |
| CAS Registry Number | 861-83-6 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C25H42O5 |
| InChI | InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3 |
| InChIKey | DLYVTEULDNMQAR-UHFFFAOYSA-N |
| Instrument Name | Bruker WH-90 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |