Chenodeoxycholic acid
Compound with spectra: 6 NMR, 3 FTIR, 1 MS (GC), and 4 MS (LC)
| SpectraBase Compound ID | DaDQGXCOR9o |
|---|---|
| InChI | InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1 |
| InChIKey | RUDATBOHQWOJDD-BSWAIDMHSA-N |
| Mol Weight | 392.6 g/mol |
| Molecular Formula | C24H40O4 |
| Exact Mass | 392.29266 g/mol |
| Enantiomer InChIKey | RUDATBOHQWOJDD-MKELMWJVSA-N |
| Copyright | Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Steraloids Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | C0940-000 |
| Technique | KBr1 0.67mg |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| Catalog Number | C 750 |
| Technique | KBr WAFER |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Technique | HCD |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Solvent | Polysol; Reference=TMS Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CD3OD |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | C5D5N |
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 859109 |
| Solvent | DMSO-d6 |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Polysol |
| Copyright | Copyright © 2021-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 859109 |
| Solvent | DMSO-d6 |
| Copyright | Copyright © 2011-2025 Wiley-VCH GmbH. All Rights Reserved. |
|---|---|
| Source of Spectrum | Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Copyright | Copyright © 2018-2025 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | 859109 |
- Chenodiol
- Deoxychenocholic acid
- CHENODEOXYCHOLIC-ACID;Y-2
- 3-ALPHA-7-ALPHA-DIHYDROXY-5-BETA-CHOLAN-24-OIC-ACID,(CHENODESOXYCHOLIC-ACID)
- 5.beta.-Cholan-24-oic acid, 3.alpha.,7.alpha.-dihydroxy-
- Chenodeoxycholic acid (CDCA)
- Chenodeoxycholic acid_neg
- ST 24:1;O4
- CHOLAN-24-OIC ACID, 3,7-DIHYDROXY-, (3alpha,5beta,7alpha)-
- 5beta-Cholanic acid-3a,7a-diol
- 3a,7a-Dihydroxy-5beta-cholanic acid
- (4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecan-14-yl]pentanoic acid
- 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic Acid
- 3,7-Dihydroxycholan-24-oic acid
- CDCA
SODIUM-CHEMODEOXYCHOLATE
5β-Cholanic acid-3α,7α-diol sodium salt
Methyl 3.alpha.,7.beta.-dihydroxy-5.alpha.-cholanate
Methyl 3.alpha.,7.alpha.-dihydroxy-5.alpha.-cholanate
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.beta.,7.beta.-dihydroxy-5.alpha.-cholanate
(T-Butyl-chemodeoxy)-cholate
5b-Cholanic acid-3a,7a-diol N-(carboxymethyl)-amide sodium salt
| Title | Journal or Book | Year |
|---|---|---|
| Bile Acids of Fel Ursi. | Chemical and Pharmaceutical Bulletin | 1998 |
| 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.
Sigma-Aldrich Library of ATR-IR Spectra
Author: Sigma Aldrich
The Sigma-Aldrich Library of ATR-IR Spectra is a comprehensive collection of ATR-IR spectra sourced from the laboratories of Sigma-Aldrich by Merck KGaA Darmstadt, Germany. Learn more.
Sigma Aldrich NMR Library
Author: Sigma Aldrich
The Sigma-Aldrich Library of NMR Spectra is a comprehensive collection of NMR spectra for organic compounds sourced from the laboratories of Sigma-Aldrich by Merck KGaA Darmstadt, Germany. 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.