3α-hydroxy-12-oxo-5β-cholan-24-oic acid, methyl ester
Compound with spectra: 2 NMR, and 1 FTIR
| 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 |
| Enantiomer InChIKey | BNXKKGNFJUFIND-QHVSWBBOSA-N |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Catalog Number | S63711 |
| Technique | KBr WAFER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
- METHYL-3-ALPHA-HYDROXY-12-OXO-5-BETA-CHOLAN-24-OATE
- 5B-CHOLAN-24-OIC ACID, 3A-HYDROXY- 12-OXO-, METHYL ESTER
12-keto Lithocholic Acid
(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxidanyl-12-oxidanylidene-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
N,N-DIMETHYL-3-HYDROXY-12-OXO-7-DEOXY-CHOLIC-AMIDE
Cholan-12-one, 3-hydroxy-, (3.alpha.,5.beta.)-
Cholan-24-oic acid, 3-(acetyloxy)-12-oxo-, methyl ester, (3.alpha.,5.beta.)-
Pregnan-12-one, 3-(acetyloxy)-20-hexyl-, (3.alpha.)-
Ergostan-12-one, 3-(acetyloxy)-, (3.beta.)-
Cholan-24-oic acid, 3,12-dioxo-, methyl ester, (5.alpha.)-
3,12-DIOXO-5B-CHOLAN-24-OATE
| Title | Journal or Book | Year |
|---|---|---|
| Substituted methyl 5β-cholan-24-oates II.13C NMR spectral assignment | Magnetic Resonance in Chemistry | 1994 |