7-ALPHA,12-BETA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
Compound with spectra: 1 NMR, and 1 MS (GC)
| SpectraBase Compound ID | J1mpnTpoR9d |
|---|---|
| InChI | InChI=1S/C25H42O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21-,23+,24+,25-/m1/s1 |
| InChIKey | XPMSMFOWYBQWHS-KKXJSBRXSA-N |
| Mol Weight | 406.6 g/mol |
| Molecular Formula | C25H42O4 |
| Exact Mass | 406.30831 g/mol |
| Enantiomer InChIKey | XPMSMFOWYBQWHS-CEJKBZDWSA-N |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | KO-9-474-2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
- (4R)-4-[(5S,7R,8R,9S,10S,12R,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid methyl ester
- Methyl (4R)-4-[(5S,7R,8R,9S,10S,12R,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
- Methyl (4R)-4-[(5S,7R,8R,9S,10S,12R,13R,14S,17R)-10,13-dimethyl-7,12-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
- (4R)-4-[(5S,7R,8R,9S,10S,12R,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester
3-BETA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-BETA,7-ALPHA,12-BETA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-BETA,7-BETA,12-BETA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-BETA,7-BETA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-ALPHA,7-BETA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-ALPHA,7-BETA,12-BETA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
| Title | Journal or Book | Year |
|---|---|---|
| Carbon-13 NMR spectra of hydroxylated bile acid stereoisomers | Organic Magnetic Resonance | 1983 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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KnowItAll Mass Spectral Library
Author: Wiley
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