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Bile acid


DATA No : BBA0030 INFORMANT : Takashi Iida

NAME : 3b,6a-Dihydroxy-5a-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:247-249degC(Ref. 0019/0237)
180-182degC(Me ester)(Ref. 0019)

BOILING POINT:

REFRACTIVE INDEX:

OPTICAL ROTATION:[a]D: +35deg(Ref. 0237)

DENSITY:

SOLUBILITY:
SPECTRAL DATA
UV SPECTRA:

IR SPECTRA:nmaxcm-1: 1708 (C=O), 3378, 1043, 1009 (OH)(Ref. 0019)

NMR SPECTRA:1H-NMR (CDCl3+20%DMSO-d6; 90MHz) d: 18-Me 0.65(s), 19-Me 0.79(s), 21-Me 0.92(d), 3a- and 6b-H 3.45(brm)(Ref. 0019)
Me ester 1H-NMR (CDCl3; 500MHz) d: 18-Me 0.618(s), 19-Me 0.779(s), 21-Me 0.878(d, 6.0), 6b-H 3.373(ddd,4.0, 11.0, 15.0), 3a-H 3.537(m), COOMe 3.628(s)(Ref. 0019)
as Me ester 13C-NMR (CDCl3; 125.65MHz) d: C-1 37.37, C-2 31.12, C-3 71.28, C-4 32.33, C-5 51.74, C-6 69.50, C-7 41.66, C-8 34.36, C-9 53.81, C-10 36.35, C-11 21.21, C-12 39.85, C-13 42.70, C-14 56.22, C-15 24.23, C-16 28.11, C-17 55.91, C-18 12.11, C-19 13.52, C-20 35.41, C-21 18.32, C-22 31.03, C-23 31.12, C-24 174.83, C-25 51.56(Ref. 0019)

MASS SPECTRA:

OTHER SPECTRA:
CHROMATOGRAM DATA

SOURCE

CHEMICAL SYNTHESIS

METABOLISM

GENETIC INFORMATION

NOTE

REFERENCES
[0019]
AUTHOR:Iida, T., Tamaru, T., Chang, F. C., Niwa, T., Goto, J., and Nambara, T.
TITLE:Potential bile acid metabolites. 20. A new synthetic route to stereoisomeric 3,6-dihydroxy- and 6-hydroxy-5 alpha-cholanoic acids PubMed ID:8212086
JOURNAL:Steroids.
VOL:58 PAGE : 362-369 (1993)
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[0237]
AUTHOR:Elliott, W. H. (1971) Allo Bile Acids, in The Bile Acids-Chemistry, Physiology, and Metabolism (Vol. 1: Chemistry) (Nair, P. P., and Kritchevsky, D. eds), pp47-93, Plenum Press, New York.
TITLE:
JOURNAL:
VOL: PAGE : - ()
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Last updated June 19, 2007. Copyright © 1989-2007 Japanese Conference on the Biochemistry of Lipids (JCBL). All rights reserved.