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Bile acid


DATA No : BBA0112 INFORMANT : Takashi Iida

NAME : 3a,15b,18-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:191-192degC (Me ester)(Ref. 0056)

BOILING POINT:

REFRACTIVE INDEX:

OPTICAL ROTATION:[a]d-15: +10.2deg (C=0.46, MeOH) (Me ester)(Ref. 0056)

DENSITY:

SOLUBILITY:
SPECTRAL DATA
UV SPECTRA:

IR SPECTRA:Me ester: nmax cm-1: 3283, 3251, 2936, 2863, 1739(Ref. 0056)

NMR SPECTRA:Me ester 1H-NMR (CD3OD; 300MHz) d: 19-Me 0.93(s), 21-Me 0.98(d), 3b-H 3.63(m), COOMe 3.65(s), 15a-H 4.24(td, J, 6.5, 1.4)(Ref. 0056)
Me ester 13C-NMR (25MHz) d: C-1 36.1, C-2 31.2, C-3 71.1, C-4 37.5, C-5 42.6, C-6 27.7, C-7 25.8, C-8 32.3, C-9 41.4, C-10 35.1, C-11 21.6, C-12 38.9, C-13 47.3, C-14 60.6, C-15 69.1, C-16 42.7, C-17 56.4, C-18 61.8, C-19 23.5, C-20 34.9, C-21 19.5, C-22 31.5, C-23 31.7, C-24 174.5,C-25 51.3(Ref. 0056)

MASS SPECTRA:Molecular secondary ion mass spectrometry Me ester m/z: 423(M+H)+(Ref. 0056)

OTHER SPECTRA:
CHROMATOGRAM DATA

SOURCE
A biotransformation product of litocholic acid by 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.