Deoxycholic acid, sodium salt monohydrate
Compound with spectra: 2 NMR, 4 FTIR, and 2 Raman
| SpectraBase Compound ID | 3tATVwQPm4R |
|---|---|
| InChI | InChI=1S/C24H40O4.Na.H2O/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);;1H2/q;+1;/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;;/m1../s1 |
| InChIKey | NDVHNZISGVSFMP-WTCAICSISA-M |
| Mol Weight | 432.57676928 g/mol |
| Molecular Formula | C24H41NaO5 |
| Exact Mass | 432.285169 g/mol |
| Parent InChIKey | KHMMQTNLHZSJQB-SMOYURAASA-M |
| Enantiomer InChIKey | NDVHNZISGVSFMP-NQLIKCHKSA-M |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich, Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 238392 |
| Technique | KBr0 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 238392 |
| Technique | Mull |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Inc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 23839-2 |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich |
| Catalog Number | 238392 |
| Copyright | Copyright © 2013-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Company Llc. |
| Source of Spectrum | Forensic Spectral Research |
| Catalog Number | 238392 |
| Copyright | Copyright © 2017-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Catalog Number | 238392 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 238392 |
| Solvent | D2O |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Catalog Number | 238392 |
| Solvent | D2O |
Deoxy-cholic acid, anion
DEOXYCHOLIC-ACID;3-ALPHA,12-ALPHA-DIHYDROXY-5-BETA-CHOLAN-24-OIC-ACID
3-BETA,12-ALPHA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-BETA,12-BETA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
Cholestan-24-one, 3,12-dihydroxy-, (3.alpha.,5.beta.,12.alpha.)-
(t-butyldeoxy)-cholate
Glycine, N-[(3.alpha.,5.beta.,12.alpha.)-3,12-dihydroxy-24-oxocholan-24-yl]-
Glycoallodeoxycholic acid
N-(2-THIOETHYL)-3-ALPHA,12-ALPHA-DIHYDROXY-5-BETA-CHOLAN-24-AMIDE
5β-Cholanic acid-3α, 12α-diol N-(2-sulfoethyl)amide, sodium salt
This compound is available in the following databases:
Sigma-Aldrich Library of Raman Spectra
Author: Wiley/Sigma-Aldrich
Wiley, on behalf of Merck KGaA Darmstadt, Germany, releases the Sigma-Aldrich Library of Raman Spectra, featuring over 6,480 high-quality Raman spectra. Learn more.
| Vendor/Supplier | Catalog Number |
|---|---|
| Sigma-Aldrich, Inc. | |
| Sigma-Aldrich Company Llc. |