METHYL-3,12-DIACETYLDESOXYCHOLATE
Compound with spectra: 1 NMR
| SpectraBase Compound ID | 3tJTFJuQ5Wj |
|---|---|
| InChI | InChI=1S/C29H46O6/c1-17(7-12-27(32)33-6)23-10-11-24-22-9-8-20-15-21(34-18(2)30)13-14-28(20,4)25(22)16-26(29(23,24)5)35-19(3)31/h17,20-26H,7-16H2,1-6H3/t17?,20-,21-,22+,23-,24+,25+,26+,28+,29-/m1/s1 |
| InChIKey | DESKMGPXRKEZPC-VFGPXDQCSA-N |
| Mol Weight | 490.7 g/mol |
| Molecular Formula | C29H46O6 |
| Exact Mass | 490.329439 g/mol |
| Enantiomer InChIKey | DESKMGPXRKEZPC-BKZRUAOHSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CH2Cl2 |
Cholan-24-oic acid, 3,12-bis(acetyloxy)-, (3.alpha.,5.beta.,12.alpha.)-
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-diacetoxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Cholestan-24-one, 3,12-bis(acetyloxy)-, (3.alpha.,5.beta.,12.alpha.)-
Cholane-24-thioic acid, 3,12-bis(acetyloxy)-, S-ethyl ester, (3.beta.,5.beta.,12.alpha.)-
DCA-[G#1]-COOH
3.alpha.,12.alpha.,24-tris(Acetoxy)-5.beta.-cholane
24-Norcholan-23-oic acid, 3,12-bis(acetyloxy)-, methyl ester, (3.alpha.,5.beta.,12.alpha.)-
chol-23-ene-3,12-diol, 24,24-diphenyl-, diacetate, (3beta,12alpha)-
| Title | Journal or Book | Year |
|---|---|---|
| Nuclear magnetic resonance spectroscopy. Carbon-13 spectra of cholic acids and hydrocarbons included in sodium desoxycholate solutions | Journal of the American Chemical Society | 1973 |
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.