METHYL-3-HYDROXY-12-(4-PHENYLBENZYLOXY)-CHOLANOATE
Compound with spectra: 1 NMR
| SpectraBase Compound ID | AM842bQnumz |
|---|---|
| InChI | InChI=1S/C38H52O4/c1-25(10-19-36(40)41-4)32-17-18-33-31-16-15-29-22-30(39)20-21-37(29,2)34(31)23-35(38(32,33)3)42-24-26-11-13-28(14-12-26)27-8-6-5-7-9-27/h5-9,11-14,25,29-35,39H,10,15-24H2,1-4H3/t25?,29-,30+,31-,32-,33-,34-,35-,37-,38+/m0/s1 |
| InChIKey | YOWKCGFIXWTWTN-KSYJLZESSA-N |
| Mol Weight | 572.8 g/mol |
| Molecular Formula | C38H52O4 |
| Exact Mass | 572.38656 g/mol |
| Enantiomer InChIKey | YOWKCGFIXWTWTN-PZHSJRDGSA-N |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | CDCl3 |
3-HYDROXY-12-(4-PHENYLBENZYLOXY)-CHOLANOIC-ACID
DMSCVEHDOAOKOT-QCOTVOHDSA-N
3.alpha.-Hydroxy-12.alpha.-acetoxy-5.beta.-cholan-24-oic acid
Methyl-3α,12α-diacetoxycholanate
(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
Cholan-24-oic acid, 3,12-bis(acetyloxy)-, (3.alpha.,5.beta.,12.alpha.)-
3alpha-Ethoxycarbonyloxy-12alpha-methylsulfonyloxy-5beta-cholan-acid-methyl ester
Cholestan-24-one, 3,12-bis(acetyloxy)-, (3.alpha.,5.beta.,12.alpha.)-
3,12-Dihydroxycholan-24-oic acid, diformate
Cholan-24-oic acid, 3,12-bis[(trimethylsilyl)oxy]-, methyl ester, (3.alpha.,5.beta.,12.alpha.)-
| Title | Journal or Book | Year |
|---|---|---|
| Thermodynamically-controlled cyclisation and interconversion of oligocholates: metal ion templated ‘living’ macrolactonisation | Journal of the Chemical Society, Perkin Transactions 1 | 1997 |
This compound is available in the following databases:
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.