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Bile acid


DATA No : BBA0059 INFORMANT : Takashi Iida

NAME : 2b,3a,7a-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:132-134degC, (Me ester; mp, 125-128degC)(Ref. 0015)

BOILING POINT:

REFRACTIVE INDEX:

OPTICAL ROTATION:

DENSITY:

SOLUBILITY:
SPECTRAL DATA
UV SPECTRA:

IR SPECTRA:nmax cm-1: 1700(C=O), 3350, 1008, 975(OH)(Ref. 0015)

NMR SPECTRA:1H-NMR (CDCl3+20%DMSO-d6; 90MHz) d: 18-Me 0.65(s), 19-Me 0.92(s), 2a- and 3b-H 3.30(brm), 7b-H 3.75(m)(Ref. 0015)
Me ester 1H-NMR (CDCl3; 400MHz) d: 18-Me 0.62(s), 19-Me 0.91(s), 21-Me 0.88(d), 3b-H 3.21(brm), 2a-H 3.47(brm), COOMe 3.62(s), 7b-H 3.78(m)(Ref. 0015)
Me ester 13C-NMR (CDCl3; 125.65MHz) d: C-1 43.05, C-2 71.27, C-3 76.94, C-4 37.33, C-5 41.51, C-6 33.97, C-7 68.27, C-8 39.41, C-9 34.26, C-10 37.53, C-11 20.95, C-12 39.68, C-13 42.66, C-14 50.36, C-15 23.65, C-16 28.26, C-17 55.95, C-18 11.80, C-19 22.89, C-20 35.44, C-21 18.35 C-22 31.10, C-23 31.03, C-24 174.88, C-25 51.59(Ref. 0015)

MASS SPECTRA:Me-TMS ether (20eV) m/z: 548(M-TMSOH), 458(M-2TMSOH), 369(M-2TMSOH-TMSO, 100%)(Ref. 0015)

OTHER SPECTRA:
CHROMATOGRAM DATA

SOURCE

CHEMICAL SYNTHESIS

METABOLISM

GENETIC INFORMATION

NOTE

REFERENCES
[0015]
AUTHOR:Iida, T., Komatsubara, I., Chang, F. C., Goto, J., and Nambara, T.
TITLE:Potential bile acid metabolites. 17. Synthesis of 2 beta-hydroxylated bile acids PubMed ID:2042229
JOURNAL:Steroids.
VOL:56 PAGE : 114-122 (1991)
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Last updated June 19, 2007. Copyright © 1989-2007 Japanese Conference on the Biochemistry of Lipids (JCBL). All rights reserved.