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7-ALPHA,12-BETA-DIHYDROXY-5-BETA-CHOLSAEUREMETHYLESTER
SpectraBase Compound ID J1mpnTpoR9d
InChI InChI=1S/C25H42O4/c1-15(8-11-22(28)29-4)17-9-10-18-23-19(14-21(27)25(17,18)3)24(2)12-6-5-7-16(24)13-20(23)26/h15-21,23,26-27H,5-14H2,1-4H3/t15-,16+,17-,18+,19+,20-,21-,23+,24+,25-/m1/s1
InChIKey XPMSMFOWYBQWHS-KKXJSBRXSA-N
Mol Weight 406.6 g/mol
Molecular Formula C25H42O4
Exact Mass 406.30831 g/mol
Enantiomer InChIKey XPMSMFOWYBQWHS-CEJKBZDWSA-N
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum KO-9-474-2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Solvent CDCl3
  • (4R)-4-[(5S,7R,8R,9S,10S,12R,13R,14S,17R)-7,12-dihydroxy-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 methyl ester
Title Journal or Book Year
Carbon-13 NMR spectra of hydroxylated bile acid stereoisomers Organic Magnetic Resonance 1983

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