3-ALPHA,7-ALPHA,12-BETA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
Compound with spectra: 1 NMR, and 1 MS (GC)
| SpectraBase Compound ID | 4gshMiFh2iK |
|---|---|
| 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/t14-,15+,16-,17-,18+,19+,20-,21-,23+,24+,25-/m1/s1 |
| InChIKey | DLYVTEULDNMQAR-IORFIOCPSA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C25H42O5 |
| Exact Mass | 422.303224 g/mol |
| Enantiomer InChIKey | DLYVTEULDNMQAR-PLMPKKFYSA-N |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | KO-9-474-3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
- (4R)-4-[(3R,5S,7R,8R,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-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
3-BETA,7-BETA,12-BETA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-BETA,7-ALPHA,12-BETA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
Methyl cholate
3-BETA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
(3a,7a,12A)-Cholic acid, methyl ester
3-ALPHA,7-BETA,12-BETA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
Methyl 3a,7a,12a-trihydroxy-5b-cholan-24-oate
3-ALPHA,7-BETA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-BETA,7-BETA,12-ALPHA-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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