12-HYDROXY-METHYL-5-BETA-CHOL-3-ENOATE
Compound with spectra: 2 NMR, and 1 MS (GC)
| SpectraBase Compound ID | JFjCNORf3dM |
|---|---|
| InChI | InChI=1S/C25H40O3/c1-16(8-13-23(27)28-4)19-11-12-20-18-10-9-17-7-5-6-14-24(17,2)21(18)15-22(26)25(19,20)3/h5,7,16-22,26H,6,8-15H2,1-4H3/t16-,17+,18+,19-,20+,21+,22+,24+,25-/m1/s1 |
| InChIKey | HDXFKPPIKDSQGU-HFCBJCDPSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C25H40O3 |
| Exact Mass | 388.297745 g/mol |
| Enantiomer InChIKey | HDXFKPPIKDSQGU-NBBFTRBBSA-N |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | T. Iida, Nihon University, Fukushima, Japan J. Goto and T. Nambara, Tohoku University, Sendai, Japan Magn. Reson. Chem. 31, 421(1993) |
| Solvent | Chloroform-d; Reference=TMS; Temperature=25C Spectrometer= Jeol FX-90Q |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | APC-314-122-4 |
- 12α-hydroxy-5β-chol-3-en-24-oic acid, methyl ester
- 5beta-CHOL-3-EN-24-OIC ACID, 12alpha-HYDROXY-, METHYL ESTER
- 12alpha-Hydroxy-5beta-chol-3-enoic acid-methylester
3-BETA,12-BETA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-ALPHA,12-BETA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-BETA,12-ALPHA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
Methyldesoxycholate
(3a,5B)-Desoxy-cholic acid, methyl ester
METHYL-3-ALPHA-AZIDO,12-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OATE
(t-butyldeoxy)-cholate
5β-Cholanic acid-3α, 12α-diol 3-acetate methyl ester
Deoxy-cholic acid, anion
| Title | Journal or Book | Year |
|---|---|---|
| Carbon-13 NMR spectra of bile acid derivatives. Part III. Unsaturated 5β-cholanoic acids | Magnetic Resonance in Chemistry | 1993 |
This compound is available in the following databases:
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.
KnowItAll Mass Spectral Library
Author: Wiley
The KnowItAll Mass Spectral Library offers a comprehensive collection of mass spectra, including the renowned Wiley Registry, and access to a wide range of compounds including pure organics, drugs, steroids, additives, geochemicals, petrochemicals, biomarkers, and more. Learn more.