5β-cholanic acid-3α,7α-diol methyl ester
Compound with spectra: 3 NMR, 1 FTIR, 1 Raman, and 2 MS (GC)
| SpectraBase Compound ID | AuXDV5i8fVf |
|---|---|
| InChI | InChI=1S/C25H42O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21-,23+,24+,25-/m1/s1 |
| InChIKey | GRQROVWZGGDYSW-IFJDUOSNSA-N |
| Mol Weight | 406.6 g/mol |
| Molecular Formula | C25H42O4 |
| Exact Mass | 406.30831 g/mol |
| Enantiomer InChIKey | GRQROVWZGGDYSW-XPXATPJKSA-N |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | C0975-000 |
| Copyright | Copyright © 2013-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | C0975-000 |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | DI/MS |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Spectrum | F-49-2492-10 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CH2Cl2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CH2Cl2 |
- Methylchenodeoxycholate
- Chenodeoxycholic acid methyl ester
- METHYL-CHENODESOXYCHOLATE
- 3-ALPHA,7-ALPHA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
- Methyl 3a,7a-dihydroxy-5b-cholan-24-oate
- Ursodesoxycholic acid ME
- Cholan-24-oic acid, 3,7-dihydroxy-, methyl ester, (3.alpha.,5.beta.,7.alpha.)-
- methyl 4-((1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethylhexadecahydro-\r1H-cyclopenta[a]phenanthren-1-yl)pentanoate
3-ALPHA,7-BETA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-BETA,7-ALPHA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-BETA,7-BETA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
4-(3,7-Dihydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester
Methyl 3.alpha.,7.beta.-dihydroxy-5.alpha.-cholanate
Methylchenodeoxycholate
Methyl 3.alpha.,7.alpha.-dihydroxy-5.alpha.-cholanate
Methyl 3.beta.,7.alpha.-dihydroxy-5.alpha.-cholanate
Methyl 3,7-dihydroxycholan-24-oate
Methyl 3.beta.,7.beta.-dihydroxy-5.alpha.-cholanate
| 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 |
| Nuclear magnetic resonance spectroscopy. Carbon-13 spectra of cholic acids and hydrocarbons included in sodium desoxycholate solutions | Journal of the American Chemical Society | 1973 |