Back to HOME

Bile acid


DATA No : BBA0018 INFORMANT : Takashi Iida

NAME : 12b-Hydroxy-5a-cholan-24-oic Acid

COMMON NAME:
SYMBOL:
FORMULA: C24H40O3 MOL.WT (average) : 376.573


Download ChemDraw structure data
BIOLOGICAL ACTIVITY

PHYSICAL AND CHEMICAL PROPERTIES
MELTING POINT:128-129.5degC, (Me ester; mp, 84-86degC and 101-102degC)(Ref. 0014)

BOILING POINT:

REFRACTIVE INDEX:

OPTICAL ROTATION:

DENSITY:

SOLUBILITY:
SPECTRAL DATA
UV SPECTRA:

IR SPECTRA:nmax cm-1: 1700 (C=O), 3420, 1000 (OH)(Ref. 0014)

NMR SPECTRA:Me ester 1H-NMR (CDCl3; 90MHz) d: 18-Me 0.71(s), 19-Me 0.79(s), 21-Me 1.00(d), 12a-H 3.37(brm), COOMe 3.63(s)(Ref. 0008/0014)
Me ester 13C-NMR (CDCl3; 22.53MHz) d: C-1 38.5, C-2 22.0, C-3 26.6, C-4 28.8, C-5 46.9, C-6 28.8, C-7 32.1, C-8 34.1, C-9 53.4, C-10 36.0, C-11 29.4, C-12 79.4, C-13 47.7, C-14 54.4, C-15 23.4, C-16 23.8, C-17 57.2, C-18 7.6, C-19 12.0, C-20 32.6, C-21 20.8, C-22 31.5, C-23 31.2, C-24 174.4, C-25 51.2(Ref. 0011/0014)

MASS SPECTRA:Me ester (70eV) m/z: 372(M-H2O, 15%), 357(M-H2O-CH3, 5%), 257(M-H2O-SC, 10%), 233(M-SC-ringD (42), 8%), 215(M-H2O-SC-42, 6%)(Ref. 0012/0014)

OTHER SPECTRA:
CHROMATOGRAM DATA

SOURCE

CHEMICAL SYNTHESIS

METABOLISM

GENETIC INFORMATION

NOTE

REFERENCES
[0008]
AUTHOR:Iida, T., and Shinohara, T.
TITLE:Proton Nuclear Magnetic Resonance Spectra of Bile Acid Derivatives. Part2. Mono-, Di- and Trisubstituted Methyl 5a-Cholanoates.
JOURNAL:J. Coll. Engin. Nihon Univ. (A)
VOL:28 PAGE : 175 -179 (1987)
[TOP]

[0011]
AUTHOR:Iida, T., Chang, F. C., Goto, J., and Nambara, T.
TITLE:Carbon-13 Nuclear Magnetic Resonance Spectra of Bile Acid Derivatives. Part II. Mono-, Di- and Trihydroxy Stereoisomers of Methyl 5a-Cholanoates.
JOURNAL:Chem. Phys. Lipids
VOL:45 PAGE : 1 -12 (1987)
[TOP]

[0012]
AUTHOR:Iida, T., Tamura, T., and Matsumoto, T.
TITLE:Mass Spectra of Mono-, Di-, and Trihydroxy Stereoisomers of Methyl 5a-Cholanoates.
JOURNAL:J. Coll. Engin. Nihon Univ. (A)
VOL:29 PAGE : 279 -288 (1988)
[TOP]

[0014]
AUTHOR:Iida, T., Tamura, T., Matsumoto, T., and Chang, F. C.
TITLE:Potential bile acid metabolites. 9. 3,12-Dihydroxy- and 12 beta-hydroxy-5 alpha-cholanoic acids PubMed ID:4031665
JOURNAL:J Lipid Res.
VOL:26 PAGE : 874-881 (1985)
[TOP]

Last updated June 19, 2007. Copyright © 1989-2007 Japanese Conference on the Biochemistry of Lipids (JCBL). All rights reserved.