3-ALPHA-ACETOXY-12-ACETOXY-METHYL-5-BETA-CHOL-6-ENOATE
Compound with spectra: 2 NMR
| SpectraBase Compound ID | 28B7fTpmHkj |
|---|---|
| InChI | InChI=1S/C29H44O6/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/h8-9,17,20-26H,7,10-16H2,1-6H3/t17-,20-,21-,22+,23-,24+,25+,26+,28+,29-/m1/s1 |
| InChIKey | RHWCHIRIOBZLHF-XEYIWHDDSA-N |
| Mol Weight | 488.7 g/mol |
| Molecular Formula | C29H44O6 |
| Exact Mass | 488.313789 g/mol |
| Enantiomer InChIKey | RHWCHIRIOBZLHF-VFBRIDPXSA-N |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | T. Iida, Nihon University, Fukushima, Japan J. Goto and T. Nambara, Tohoku University, Sendai, Japan Magn. Reson. Chem. 31, 421(1993) |
| Solvent | Chloroform-d; Reference=TMS; Temperature=25C Spectrometer= Jeol FX-90Q |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
- 3α,12α-dihydroxy-5β-chol-6-en-24-oic acid, methyl ester, diacetate
- 5beta-CHOL-6-EN-24-OIC ACID, 3alpha,12alpha-DIHYDROXY-, METHYL ESTER, DIACETATE
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,12-bis[3-[4-(tosylamino)phenyl]propanoyloxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester
[3,4-(13)C(2)]-(5-BETA,12-ALPHA)-12-(BENZOYLOXY)-3-OXO-CHOLAN-24-OIC-ACID-METHYLESTER
Methyl ester fo (3.alpha.,5.beta.,7.beta.,12.alpha.)-3,12-bis(acetyloxy)-7-chlorocholan-24-oic acid
DCA-[G#1]-CO2CH2C6H5
23-(Benzothiazol-2'-yl)-3.alpha.,12.alpha.-diacetoxynor-cholane
(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-12-[2-(4-nitrophenyl)acetyl]oxy-3-[4-(4-nitrophenyl)butanoyloxy]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid methyl ester
Methyl 3.alpha.-[(4-nitrophenyl)acetoxy]-12.alpha.-[4-(4-nitrophenyl)butanoyloxy]-5.beta.-cholan-24-oate
Cholic acid, 4TMS
Cholic acid tetra(trimethylsilyl) ester
Ergost-5-ene-3,12-diol, 12-acetate, (3.beta.,12.alpha.)-
| Title | Journal or Book | Year |
|---|---|---|
| Carbon-13 NMR spectra of bile acid derivatives. Part III. Unsaturated 5β-cholanoic acids | Magnetic Resonance in Chemistry | 1993 |
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.