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Bile acid


DATA No : BBA0028 INFORMANT : Takashi Iida

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

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


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BIOLOGICAL ACTIVITY

PHYSICAL AND CHEMICAL PROPERTIES
MELTING POINT:238-240degC, (Me ester; mp, 176-177degC)(Ref. 0019/0237)

BOILING POINT:

REFRACTIVE INDEX:

OPTICAL ROTATION:

DENSITY:

SOLUBILITY:
SPECTRAL DATA
UV SPECTRA:

IR SPECTRA:nmaxcm-1: 1704 (C=O), 3468, 1041, 1002 (OH)(Ref. 0019)

NMR SPECTRA:1H-NMR (CDCl3+20%DMSO-d6; 90MHz) d: 18-Me 0.65(s), 19-Me 0.77(s), 21-Me 0.92(d), 6b-H 3.29(brm), 3b-H 4.05(m)(Ref. 0019)
Me ester 1H-NMR (CDCl3; 500MHz) d: 18-Me 0.621(s), 19-Me 0.752(s), 21-Me 0.885(d, 6.5), 6b-H 3.323(dd,4.5, 10.5, 14.5), COOMe 3.630(s), 3b-H 4.092(brs)(Ref. 0019)
Me ester 13C-NMR (CDCl3; 125.65MHz) d: C-1 32.53, C-2 28.48, C-3 65.97, C-4 30.10, C-5 46.15, C-6 69.82, C-7 41.98, C-8 34.30, C-9 53.82, C-10 36.93, C-11 20.74, C-12 39.88, C-13 42.69, C-14 56.32, C-15 24.22, C-16 28.11, C-17 55.96, C-18 12.11, C-19 12.37, C-20 35.44, C-21 18.33, C-22 31.06, C-23 31.16, C-24 174.80, C-25 51.55(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.