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Bile acid


DATA No : BBA0027 INFORMANT : Takashi Iida

NAME : 3b,6b-Dihydroxy-5b-cholan-24-oic Acid

COMMON NAME:
SYMBOL:
FORMULA: C24H40O4 MOL.WT (average) : 392.572


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BIOLOGICAL ACTIVITY

PHYSICAL AND CHEMICAL PROPERTIES
MELTING POINT:260-261degC, (Me ester; mp, 124-125degC)(Ref. 0018)

BOILING POINT:

REFRACTIVE INDEX:

OPTICAL ROTATION:

DENSITY:

SOLUBILITY:
SPECTRAL DATA
UV SPECTRA:

IR SPECTRA:nmax cm-1: 1710 (C=O), 3440, 3400, 1448, 1038, 1018 (OH)(Ref. 0018)

NMR SPECTRA:1H-NMR (CDCl3+30%DMSO-d6; 90MHz) d: 18-Me 0.68(s), 21-Me 0.92(d), 19-Me 1.13(s), 6a-H 3.64(m), 3a-H 4.02(m)(Ref. 0018)
Me ester 1H-NMR (CDCl3; 90MHz) d: 18-Me 0.68(s), 21-Me 0.92(d), 19-Me 1.14(s), COOMe 3.66(S), 6a-H 3.71(m), 3a-H 4.09(m)(Ref. 0018)
Me ester 13C-NMR (CDCl3; 22.53MHz) d: C-1 30.2, C-2 27.5, C-3 66.1, C-4 33.7, C-5 43.6, C-6 73.2, C-7 34.5, C-8 30.6, C-9 40.1, C-10 34.8, C-11 20.9, C-12 40.1, C-13 42.8, C-14 56.5, C-15 24.1, C-16 28.1, C-17 56.1, C-18 12.1, C-19 26.1, C-20 35.4, C-21 18.3, C-22 31.0, C-23 31.0, C-24 174.7, C-25 51.4(Ref. 0018)

MASS SPECTRA:Me ester (70eV) m/z: 406(M+, 2%), 388 (M-H2O, 94%), 373(M-H2O, 20%), 370(M-2H2O, 15%), 355(M-2H2O-CH3, 11%), 273(M-H2O-SC, 14%)(Ref. 0018)

OTHER SPECTRA:
CHROMATOGRAM DATA

SOURCE

CHEMICAL SYNTHESIS

METABOLISM

GENETIC INFORMATION

NOTE

REFERENCES
[0018]
AUTHOR:Iida, T., Momose, T., Tamura, T., Matsumoto, T., Chang, F. C., Goto, J., and Nambara, T.
TITLE:Potential bile acid metabolites. 13. Improved routes to 3 beta, 6 beta- and 3 beta, 6 alpha-dihydroxy-5 beta-cholanoic acids PubMed ID:3367086
JOURNAL:J Lipid Res.
VOL:29 PAGE : 165-171 (1988)
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Last updated June 19, 2007. Copyright © 1989-2007 Japanese Conference on the Biochemistry of Lipids (JCBL). All rights reserved.