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3-HYDROXY-METHYL-5-BETA-CHOL-9(11)-ENOATE
SpectraBase Compound ID DoZ8NnTzUPu
InChI InChI=1S/C25H40O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h12,16-21,26H,5-11,13-15H2,1-4H3/t16-,17-,18-,19+,20-,21+,24+,25-/m1/s1
InChIKey YJXBNOSYLORVTJ-NLTGAPMMSA-N
Mol Weight 388.6 g/mol
Molecular Formula C25H40O3
Exact Mass 388.297745 g/mol
Enantiomer InChIKey YJXBNOSYLORVTJ-GLEGUWMMSA-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-hydroxy-5β-chol-9(11)-en-24-oic acid, methyl ester
  • 5beta-CHOL-11-EN-24-OIC ACID, 3alpha-HYDROXY-, METHYL ESTER
  • 5beta-CHOL-9(11)-EN-24-OIC ACID, 3alpha-HYDROXY-, METHYL ESTER
Title Journal or Book Year
Carbon-13 NMR spectra of bile acid derivatives. Part III. Unsaturated 5β-cholanoic acids Magnetic Resonance in Chemistry 1993

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