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Bile acid


DATA No : BBA0070 INFORMANT : Takashi Iida

NAME : 3b,6b,7a-Trihydroxy-5b-cholan-24-oic Acid

COMMON NAME:
SYMBOL:
FORMULA: C24H40O5 MOL.WT (average) : 408.571


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BIOLOGICAL ACTIVITY

PHYSICAL AND CHEMICAL PROPERTIES
MELTING POINT:214-216degC(Ref. 0029)

BOILING POINT:

REFRACTIVE INDEX:

OPTICAL ROTATION:

DENSITY:

SOLUBILITY:
SPECTRAL DATA
UV SPECTRA:

IR SPECTRA:nmax cm-1: 1720(C=O), 3420, 1038, 1020(OH)(Ref. 0029)

NMR SPECTRA:1H-NMR (CDCl3+10%DMSO-d6; 90MHz) d: 18-Me 0.69(s), 21-Me 0.94(d), 19-Me 1.11(s), 6a- and 7a-H 3.66(m), 3a-H 4.02(m)(Ref. 0029)
Me ester 1H-NMR (CDCl3; 500MHz) d: 18-Me 0.70(s), 19-Me 1.12(s), 21-Me 0.93(d), COOMe 3.67(s), 6a-H 3.68(m), 7b-H 3.73(m), 3a-H 4.06(m)(Ref. 0029)
Me ester 13C-NMR (CDCl3; 22.53MHz) d: C-1 30.6, C-2 27.7, C-3 66.3, C-4 33.2, C-5 42.8, C-6 76.6, C-7 73.0, C-8 35.2, C-9 33.0, C-10 35.2, C-11 20.8, C-12 39.5, C-13 42.6, C-14 49.8, C-15 23.7, C-16 28.1, C-17 55.8, C-18 11.7, C-19 25.4, C-20 35.2, C-21 18.2, C-22 31.0, C-23 31.0, C-24 174.7, C-25 51.4(Ref. 0029)

MASS SPECTRA:Me ester (70eV) m/z: 422 (M+, 3%), 404(M-H2O, 84%), 386(M-2H2O, 24%), 371(M-2H2O-CH3)(Ref. 0029)

OTHER SPECTRA:
CHROMATOGRAM DATA

SOURCE

CHEMICAL SYNTHESIS

METABOLISM

GENETIC INFORMATION

NOTE

REFERENCES
[0029]
AUTHOR:Iida, T., Momose, T., Tamura, T., Matsumoto, T., Chang, F. C., Goto, J., and Nambara, T.
TITLE:Potential bile acid metabolites. 14. Hyocholic and muricholic acid stereoisomers PubMed ID:2769078
JOURNAL:J Lipid Res.
VOL:30 PAGE : 1267-1279 (1989)
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Last updated June 19, 2007. Copyright © 1989-2007 Japanese Conference on the Biochemistry of Lipids (JCBL). All rights reserved.