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12-HYDROXY-METHYL-5-BETA-CHOL-3-ENOATE
SpectraBase Compound ID JFjCNORf3dM
InChI InChI=1S/C25H40O3/c1-16(8-13-23(27)28-4)19-11-12-20-18-10-9-17-7-5-6-14-24(17,2)21(18)15-22(26)25(19,20)3/h5,7,16-22,26H,6,8-15H2,1-4H3/t16-,17+,18+,19-,20+,21+,22+,24+,25-/m1/s1
InChIKey HDXFKPPIKDSQGU-HFCBJCDPSA-N
Mol Weight 388.6 g/mol
Molecular Formula C25H40O3
Exact Mass 388.297745 g/mol
Enantiomer InChIKey HDXFKPPIKDSQGU-NBBFTRBBSA-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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Source of Spectrum APC-314-122-4
  • 12α-hydroxy-5β-chol-3-en-24-oic acid, methyl ester
  • 5beta-CHOL-3-EN-24-OIC ACID, 12alpha-HYDROXY-, METHYL ESTER
  • 12alpha-Hydroxy-5beta-chol-3-enoic acid-methylester
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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