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Bile acid


DATA No : BBA0109 INFORMANT : Takashi Iida

NAME : 3a,11b,15b-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:236-237degC(Ref. 0056)

BOILING POINT:

REFRACTIVE INDEX:

OPTICAL ROTATION:[a]d-25: +20.8deg (C=0.31, MeOH)(Ref. 0056)

DENSITY:

SOLUBILITY:
SPECTRAL DATA
UV SPECTRA:

IR SPECTRA:nmax cm-1: 3422, 3402, 2929, 2863, 1711(Ref. 0056)

NMR SPECTRA:1H-NMR (CD3OD; 300MHz) d: 21-Me 0.97(d), 18-Me 1.13(s), 19-Me 1.20(s), 3b-H 3.55(m), 11a-H 4.10(td, J, 4.1, 2.5), 15a-H 4.18(td, J, 5.8, 0.8)(Ref. 0056)
Me ester 13C-NMR (25MHz) d: C-1 35.9, C-2 32.2, C-3 71.3, C-4 37.6, C-5 44.8, C-6 27.2, C-7 27.2, C-8 28.5, C-9 45.0, C-10 35.7, C-11 67.2, C-12 51.1, C-13 42.4, C-14 63.4, C-15 69.2, C-16 41.9, C-17 57.5, C-18 17.9, C-19 27.2, C-20 35.9, C-21 18.8, C-22 32.2, C-23 32.2, C-24 174.5(Ref. 0056)

MASS SPECTRA:Molecular secondary ion mass spectrometry m/z: 415(M+Li)+, 501(M+H+glycerol), 507(M+Li+glycerol)(Ref. 0056)

OTHER SPECTRA:
CHROMATOGRAM DATA

SOURCE
A microbiological transformation product of litocholic acid by a fungus Cunninghamella blakesleeana ST-22.(Ref. 0056)
CHEMICAL SYNTHESIS

METABOLISM

GENETIC INFORMATION

NOTE

REFERENCES
[0056]
AUTHOR:Jodoi, Y., Nihira, T., Naoki, H., Yamada, Y., and Taguchi, H.
TITLE:New Trihydroxy Bile Acids Produced by Cunninghamella blakesleeana ST-22 from Lithocholic Acid.
JOURNAL:Tetrahedron.
VOL:43 PAGE : 487 -492 (1987)
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Last updated June 19, 2007. Copyright © 1989-2007 Japanese Conference on the Biochemistry of Lipids (JCBL). All rights reserved.