| SpectraBase Compound ID | 6HmMSnKHJXq |
|---|---|
| InChI | InChI=1S/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-21,26H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,24+,25-/m1/s1 |
| InChIKey | BNXKKGNFJUFIND-BXVWHTCBSA-N |
| Mol Weight | 404.6 g/mol |
| Molecular Formula | C25H40O4 |
| Exact Mass | 404.29266 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8cBQkHKwf32 |
|---|---|
| Name | 3α-hydroxy-12-oxo-5β-cholan-24-oic acid, methyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H40O4 |
| InChI | InChI=1S/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-21,26H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,24+,25-/m1/s1 |
| InChIKey | BNXKKGNFJUFIND-BXVWHTCBSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 52946M |
| Solvent | CDCl3 |