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Bile acid


DATA No : BBA0701 INFORMANT : Takashi Iida

NAME : 3a,7b,14a-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:

BOILING POINT:

REFRACTIVE INDEX:

OPTICAL ROTATION:

DENSITY:

SOLUBILITY:
SPECTRAL DATA
UV SPECTRA:

IR SPECTRA:Me ester-3,7-diacetate: nmaxcm-1: 1027, 1048, 1366, 1729, 2876, 2936, 3609(Ref. 0228)

NMR SPECTRA:Me ester-3,7-diacetate 1H-NMR (CDCl3; 500MHz) d: 18-Me 0.79(s), 21-Me 0.90(d), 19-Me 0.99(s), 3a- and 7b-OCOMe 2.00 and 2.03(each s), 9a-H 2.14(td, J, 12.0, 4.5), 23-H 2.25(m), 23'-H 2.39(m), COOMe 3.67(s), 3b-H 4.67(m), 7a-H 5.15(td, J, 11.0, 5.5)(Ref. 0228)
Me ester-3,7-diacetate 13C-NMR (CDCl3; 125MHz) d: C-1 34.5, C-2 26.1, C-3 73.5, C-4 32.7, C-5 41.9, C-6 32.9, C-7 69.4, C-8 43.3, C-9 32.1, C-10 34.0, C-11 19.9, C-12 31.8, C-13 47.6, C-14 83.9, C-15 34.8, C-16 27.2, C-17 49.4, C-18 15.5, C-19 22.7, C-20 34.9, C-21 18.2, C-22 30.9, C-23 31.0, C-24 174.8, C-25 51.4(Ref. 0228)

MASS SPECTRA:Me ester-3,7-diacetate m/z: 446(2%), 428(10%), 386(28%), 368(23%), 353(13%), 313(34%), 281(6%), 271(10%), 253(36%), 212(82%), 174(41%),97(81%), 96(100%)(Ref. 0228)

OTHER SPECTRA:
CHROMATOGRAM DATA

SOURCE

CHEMICAL SYNTHESIS

METABOLISM

GENETIC INFORMATION

NOTE

REFERENCES
[0228]
AUTHOR:Cerr$`e$, C., Hofmann, A. F., and Schteingart, C. D.
TITLE:Oxyfunctionalization of (5b)-Bile Acids by Dimethyldioxrane: Hydroxylation at C-5, C-14, and C-17.
JOURNAL:Tetrahedron
VOL:53 PAGE : 435 -446 (1997)
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Last updated June 19, 2007. Copyright © 1989-2007 Japanese Conference on the Biochemistry of Lipids (JCBL). All rights reserved.