METHYL-5-BETA-CHOL-3-ENOATE
Compound with spectra: 2 NMR, and 1 MS (GC)
| SpectraBase Compound ID | HsKkhUhQsu |
|---|---|
| InChI | InChI=1S/C25H40O2/c1-17(8-13-23(26)27-4)20-11-12-21-19-10-9-18-7-5-6-15-24(18,2)22(19)14-16-25(20,21)3/h5,7,17-22H,6,8-16H2,1-4H3/t17-,18+,19+,20-,21+,22+,24+,25-/m1/s1 |
| InChIKey | SWOCCXUIQRXEJJ-ZXKBGTPZSA-N |
| Mol Weight | 372.6 g/mol |
| Molecular Formula | C25H40O2 |
| Exact Mass | 372.302831 g/mol |
| Enantiomer InChIKey | SWOCCXUIQRXEJJ-APBXINRGSA-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 © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
- 5β-chol-3-en-24-oic acid, methyl ester
- Lithocholic acid-M/A (-H2O) ME
- methyl 4-((1R,3aS,3bS,5aR,9aS,9bS,11aR)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,8,9,9a,9b,10,11,\r11a-tetradecahydro-1H-cyclopenta[a]phenanthren-1-yl)pentanoate
DELTA-(3)-CHOLESTENE
Cholan-24-oic acid, 3-oxo-, methyl ester, (5.beta.)-
METHYL-3-OXO-CHOLAN-24-OATE
3-OXO-5B-CHOLAN-24-OATE
Methyl trisnor-5.alpha.-cholestan-3-on-24-oate
METHYL-3-ALPHA-HYDROXY-5-BETA-CHOLAN-24-OATE
3-BETA-HYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
4-(3-Hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester
(3a,5B)-Lithocholic acid, methyl ester
Methyl-3.alpha.-benzyloxy-5.beta.cholan-24-oate
| 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
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