Sodium deoxycholate
Compound with spectra: 1 NMR
| SpectraBase Compound ID | KJg3hyZu9Bs |
|---|---|
| InChI | InChI=1S/C24H40O4.Na/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);/q;+1/p-1/t14-,15+,16+,17-,18+,19-,20-,21-,23-,24+;/m0./s1 |
| InChIKey | FHHPUSMSKHSNKW-NBOMPEDBSA-M |
| Mol Weight | 414.6 g/mol |
| Molecular Formula | C24H39NaO4 |
| Exact Mass | 414.274604 g/mol |
| Parent InChIKey | KXGVEGMKQFWNSR-IXXXIYJDSA-M |
| Enantiomer InChIKey | FHHPUSMSKHSNKW-QGSHTBDFSA-M |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | D2O |
Deoxycholic acid, sodium salt monohydrate
DEOXYCHOLIC-ACID;3-ALPHA,12-ALPHA-DIHYDROXY-5-BETA-CHOLAN-24-OIC-ACID
Deoxy-cholic acid, anion
3-BETA,12-BETA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
3-BETA,12-ALPHA-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
| Title | Journal or Book | Year |
|---|---|---|
| 1H and13C NMR assignment of sodium chenodeoxycholate in aqueous solution. Polarization of bile salts steroid nucleus | Magnetic Resonance in Chemistry | 1994 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
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KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley
The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.