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Bile acid


DATA No : BBA0062 INFORMANT : Takashi Iida

NAME : 3a,5b,7a-Trihydroxycholan-24-oic Acid

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


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BIOLOGICAL ACTIVITY

PHYSICAL AND CHEMICAL PROPERTIES
MELTING POINT:158-159degC, (Me ester-3,7-diacetate)(Ref. 0228)

BOILING POINT:

REFRACTIVE INDEX:

OPTICAL ROTATION:

DENSITY:

SOLUBILITY:
SPECTRAL DATA
UV SPECTRA:

IR SPECTRA:Me ester-3,7-diasetate: nmax cm-1: 1027, 1366, 1473, 1730, 2873, 2909, 3606(Ref. 0228)

NMR SPECTRA:Me ester-3,7-diacetate 1H-NMR (CDCl3; 500MHz) d: 18-Me 0.65(s), 19-Me 0.91(s), 21-Me 0.93(d), 3a- and 7a-OCOMe 2.03 and 2.07(each s), 23-H 2.23(m), 4a-H 2.33(t, J, 12.5), 23'-H 2.35(m), COOMe 3.67(s), 7b-H 4.96(m), 3b-H 5.02(m)(Ref. 0228)
Me ester-3,7-diacetate 13C-NMR (CDCl3; 125MHz) d: C-1 29.3, C-2 26.2, C-3 70.9, C-4 40.5, C-5 74.4, C-6 40.8, C-7 70.9, C-8 36.9, C-9 37.1, C-10 39.5, C-11 20.7, C-12 39.1, C-13 42.4, C-14 50.2, C-15 23.5, C-16 27.8, C-17 55.6, C-18 11.5, C-19 15.7, C-20 35.2, C-21 18.1, C-22 30.9, C-23 30.8, C-24 174.8, C-25 51.4(Ref. 0228)

MASS SPECTRA:Me ester-3,7-diasetate m/z: 428(10%), 386(84%), 368(82%), 353(23%), 332(100%), 331(35%), 313(39%), 271(85%), 253(42%), 226(33%), 211(37%)(Ref. 0228)

OTHER SPECTRA:
CHROMATOGRAM DATA

SOURCE
Primary bile acid in pheasant.(Ref. 0102)
CHEMICAL SYNTHESIS

METABOLISM

GENETIC INFORMATION

NOTE

REFERENCES
[0102]
AUTHOR:Hofmann, A. F., Schteingart, C. D., and Hagey, L. R. (1995) Species Differences in Bile Acid Metabolism, in Bile Acids in Liver Diseases (Paumgartner, G., and Beuers, U. eds), pp 3-30, Kluwer Academic Publishers, Dordrecht.
TITLE:
JOURNAL:
VOL: PAGE : - ()
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[0228]
AUTHOR:Cerr$`e$, C., Hofmann, A. F., and Schteingart, C. D.
TITLE:Oxyfunctionalization of (5b)-Bile Acids by Dimethyldioxrane: Hydroxylation at C-5, C-14, and C-17.
JOURNAL:Tetrahedron
VOL:53 PAGE : 435 -446 (1997)
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Last updated June 19, 2007. Copyright © 1989-2007 Japanese Conference on the Biochemistry of Lipids (JCBL). All rights reserved.