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Bile acid


DATA No : BBA0076 INFORMANT : Takashi Iida

NAME : 2b,3a,12a-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:234-235degC, (Me ester; mp, 191-192degC)(Ref. 0015)

BOILING POINT:

REFRACTIVE INDEX:

OPTICAL ROTATION:

DENSITY:

SOLUBILITY:
SPECTRAL DATA
UV SPECTRA:

IR SPECTRA:nmax cm-1: 1723(C=O), 3368, 1004(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 3.45(brm), 12b-H 3.92(m)(Ref. 0015)
Me ester 1H-NMR (CDCl3; 400MHz) d: 18-Me 0.64(s), 19-Me 0.90(s), 21-Me 0.93(d), 3b-H 3.35(brm), 2a-H 3.60(brm), COOMe 3.63(s), 12b-H 3.96(m)(Ref. 0015)
Me ester 13C-NMR (CDCl3; 125.65MHz) d: C-1 43.60, C-2 70.75, C-3 76.37, C-4 34.50, C-5 42.04, C-6 26.49, C-7 26.16, C-8 36.07, C-9 35.06, C-10 36.58, C-11 28.60, C-12 73.21, C-13 46.6, C-14 47.98 C-15 23.73, C-16 27.57, C-17 47.20, C-18 12.77, C-19 23.01, C-20 35.34, C-21 17.35, C-22 31.32, C-23 31.07, C-24 174.80, C-25 51.54(Ref. 0015)

MASS SPECTRA:Me-TMS ether (20eV) m/z: 623(M-CH3), 548(M-TMSOH), 458(M-2TMSOH), 369(M-2TMSOH-TMSO), 343(M-2TMSOH-SC), 253(M-3TMSOH-SC, 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.