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Bile acid


DATA No : BBA0110 INFORMANT : Takashi Iida

NAME : 3a,12a,15a-Trihydroxy-5b-cholan-24-oic Acid

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


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BIOLOGICAL ACTIVITY

PHYSICAL AND CHEMICAL PROPERTIES
MELTING POINT:322-325degC (decomp.), (Me ester: mp, 257-259degC)(Ref. 0057/0058)

BOILING POINT:

REFRACTIVE INDEX:

OPTICAL ROTATION:

DENSITY:

SOLUBILITY:
SPECTRAL DATA
UV SPECTRA:

IR SPECTRA:nmax cm-1: 3400, 1710(COOH)(Ref. 0058)

NMR SPECTRA:1H-NMR (Pyridine; 60MHz) d: 0.81 (3H, s, 18-CH3), 0.98 (3H, s, 19-CH3)(Ref. 0057/0058)
Me ester 1H-NMR (Pyridine-d5) d: 0.82 (3H, s, 18-CH3), 0.97 (3H, s, 19-CH3), 3.61 (3H, s, COOCH3), 3.85 (1H, m, 3b- H), 4,00-4.30 (2H, m, 12b- and 15b- H)(Ref. 0058)

MASS SPECTRA:Me ester m/z: 404 (M-H2O), 386 (M-2H2O), 368(M-3H2O), 271(M-2H2O-SC, 100%), 253(M-3H2O-SC)(Ref. 0057/0058)

OTHER SPECTRA:
CHROMATOGRAM DATA

SOURCE

CHEMICAL SYNTHESIS

METABOLISM

GENETIC INFORMATION

NOTE

REFERENCES
[0057]
AUTHOR:Kimura, M., Kawata, M., Tohma, M., Fujino, A., and Yamasaki, K.
TITLE:Formation of 3a,12a,15a-Trihydroxycholanic Acid from Deoxycholic Acid by Ferro-Ascorbate System.
JOURNAL:Tetrahedron. Lett.
VOL: PAGE : 2021 -2024 (1970)
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[0058]
AUTHOR:Kimura, M., Kawata, M., Tohma, M., Fujino, A., Yamazaki, K., and Sawaya, T.
TITLE:Metal Ion Catalized Oxidation of Steroids. I. 15a-Hydroxylation of Deoxycholic Acid in Aqueous Solution by Ferrous Ion-Molecular Oxygen System.
JOURNAL:Chem. Pharm. Bull.
VOL:20 PAGE : 1883 -1889 (1972)
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Last updated June 19, 2007. Copyright © 1989-2007 Japanese Conference on the Biochemistry of Lipids (JCBL). All rights reserved.