Methyl cholate
Compound with spectra: 3 NMR, 3 FTIR, and 1 Raman
| SpectraBase Compound ID | 4MXd7G0VCoc |
|---|---|
| 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-SRNOMOOLSA-N |
| Mol Weight | 422.6 g/mol |
| Molecular Formula | C25H42O5 |
| Exact Mass | 422.303224 g/mol |
| Enantiomer InChIKey | DLYVTEULDNMQAR-XQXZXKLNSA-N |
| Copyright | Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alfa Aesar, a Johnson Matthey Company |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | L05129 |
| Technique | KBr1 0.62mg |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | M. L. LEWBART, CROZER-CHESTER MEDICAL CENTER, CHESTER, PENNSYLVANIA |
| Technique | KBr WAFER |
| Copyright | Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alfa Aesar, a Johnson Matthey Company |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | L05129 |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2013-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Alfa Aesar, a Johnson Matthey Company |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | L05129 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CH2Cl2 |
- Methyl 3a,7a,12a-trihydroxy-5b-cholan-24-oate
- Cholicacid, methyl ester
- Methyl 3a,7a,12a-trihydroxy-5b-cholanoate
- 3-ALPHA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-BETA,7-BETA,12-BETA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-BETA,7-ALPHA,12-BETA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-ALPHA,7-BETA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
Methyl cholate
(3a,7a,12A)-Cholic acid, methyl ester
3-BETA,7-BETA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-ALPHA,7-ALPHA,12-BETA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-ALPHA,7-BETA,12-BETA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-BETA,7-ALPHA,12-ALPHA-TRIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
| Title | Journal or Book | Year |
|---|---|---|
| Carbon-13 NMR spectra of hydroxylated bile acid stereoisomers | Organic Magnetic Resonance | 1983 |
| 13C n.m.r. spectra of steroids —a survey and commentary | Organic Magnetic Resonance | 1977 |
This compound is available in the following databases:
KnowItAll IR Spectral Library
Author: Wiley
Wiley's KnowItAll IR Spectral Library offers access to the world's largest collection of high-quality infrared spectra, including the renowned Sadtler databases. Learn more.
KnowItAll Raman Spectral Library
Author: Wiley
Wiley's KnowItAll Raman Spectral Library offers access to the world's largest collection of high-quality Raman spectra, including the renowned Sadtler databases. Learn more.
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.