Back to HOME

Bile acid


DATA No : BBA0069 INFORMANT : Takashi Iida

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

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


Download ChemDraw structure data
BIOLOGICAL ACTIVITY

PHYSICAL AND CHEMICAL PROPERTIES
MELTING POINT:129-131degC(Ref. 0029)

BOILING POINT:

REFRACTIVE INDEX:

OPTICAL ROTATION:

DENSITY:

SOLUBILITY:
SPECTRAL DATA
UV SPECTRA:

IR SPECTRA:nmax cm-1: 1710(C=O), 3410, 1025(OH)(Ref. 0029)

NMR SPECTRA:1H-NMR (CDCl3+10%DMSO-d6; 90MHz) d: 18-Me 0.66(s), 21-Me 0.92(d), 19-Me 0.95(s), 7a-H 3.33(brm), 6b-H 3.74(brm), 3a-H 4.00(m)(Ref. 0029)
Me ester 1H-NMR (CDCl3; 500MHz) d: 18-Me 0.68(s), 19-Me 0.99(s), 21-Me 0.92(d), 7a-H 3.38(t, J, 9.1), COOMe 3.67(s), 6b-H 3.86(dd,J,9.3, 5.3), 3a-H 4.14(m)(Ref. 0029)
Me ester 13C-NMR (CDCl3; 22.53MHz) d: C-1 29.9, C-2 27.3, C-3 65.6, C-4 27.8, C-5 42.3, C-6 73.0, C-7 75.6, C-8 41.6, C-9 38.9, C-10 35.8, C-11 21.5, C-12 40.1, C-13 43.8, C-14 55.1, C-15 26.7, C-16 28.5, C-17 56.0, C-18 12.2, C-19 24.2, C-20 35.2, C-21 18.4, C-22 31.1, C-23 31.1, C-24 174.6, C-25 51.4(Ref. 0029)

MASS SPECTRA:Me ester (70eV) m/z: 422 (M+, 8%), 404(M-H2O, 60%), 386(M-2H2O, 73%), 371(M-2H2O-CH3, 13%), 368(M-3H2O, 16%)(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)
[TOP]

Last updated June 19, 2007. Copyright © 1989-2007 Japanese Conference on the Biochemistry of Lipids (JCBL). All rights reserved.