3alpha-HYDROXY-12-OXO-5beta-CHOLAN-24-OIC ACID, METHYL ESTER, ACETATE
Compound with spectra: 2 NMR, and 1 FTIR
| SpectraBase Compound ID | CmAdgK4sYns |
|---|---|
| InChI | InChI=1S/C27H42O5/c1-16(6-11-25(30)31-5)21-9-10-22-20-8-7-18-14-19(32-17(2)28)12-13-26(18,3)23(20)15-24(29)27(21,22)4/h16,18-23H,6-15H2,1-5H3/t16-,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1 |
| InChIKey | XHQVLSIVZIPGLE-KXKMLXBFSA-N |
| Mol Weight | 446.6 g/mol |
| Molecular Formula | C27H42O5 |
| Exact Mass | 446.303224 g/mol |
| Enantiomer InChIKey | XHQVLSIVZIPGLE-LXTCWVRISA-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 | S63712 |
| Technique | KBr WAFER |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
- METHYL-3-ALPHA-ACETYLOXY-12-OXO-5-BETA-CHOLAN-24-OATE
- 5B-CHOLAN-24-OIC ACID, 3A-HYDROXY- 12-OXO-, METHYL ESTER, ACETATE
Pregnan-12-one, 3-(acetyloxy)-20-hexyl-, (3.alpha.)-
Cholan-12-one, 3-(acetyloxy)-, (3.alpha.,5.beta.)-
Ergostan-12-one, 3-(acetyloxy)-, (3.beta.)-
Methyl 3.alpha.-Benzoyloxy-12-keto-5.beta.-cholan-24-oate
methyl (3alpha,5beta)-3-{[(4-methylphenyl)sulfonyl]oxy}-12-oxocholan-24-oate
3α-hydroxy-12-oxo-5β-cholan-24-oic acid, methyl ester
3A-HYDROXY-12-OXO-5B-CHOLAN-24-OATE
N,N-DIMETHYL-3-HYDROXY-12-OXO-7-DEOXY-CHOLIC-AMIDE
| Title | Journal or Book | Year |
|---|---|---|
| Substituted methyl 5β-cholan-24-oates II.13C NMR spectral assignment | Magnetic Resonance in Chemistry | 1994 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
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