Back to HOME

Bile acid


DATA No : BBA0702 INFORMANT : Takashi Iida

NAME : 3a,7b,17a-Trihydroxy-5b-cholan-24-oic Acid

COMMON NAME:
SYMBOL:
FORMULA: C24H40O5 MOL.WT (average) : 408.571


Download ChemDraw structure data
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: 1025, 1366, 1729, 2876, 2938, 3607(Ref. 0228)

NMR SPECTRA:Me ester-3,7-diacetate 1H-NMR (CDCl3; 500MHz) d: 18-Me 0.76(s), 21-Me 0.90(d), 19-Me 0.98(s), 3a- and 7b-OCOMe 1.98 and 2.03(each s), 23-H 2.26(m), 23'-H 2.44(m), COOMe 3.68(s), 3b-H 4.67(m), 7a-H 4.81(td, J, 10.7, 5.5)(Ref. 0228)
Me ester-3,7-diacetate 13C-NMR (CDCl3; 125MHz) d: C-1 34.4, C-2 26.2, C-3 73.7, C-4 32.7, C-5 41.9, C-6 32.7, C-7 73.4, C-8 40.0, C-9 38.9, C-10 33.8, C-11 20.8, C-12 32.2, C-13 48.4, C-14 49.8, C-15 24.7, C-16 38.4, C-17 84.9, C-18 14.4, C-19 23.0, C-20 38.9, C-21 13.4, C-22 27.4, C-23 32.0, C-24 174.5, C-25 51.4(Ref. 0228)

MASS SPECTRA:Me ester-3,7-diacetate m/z: 446(40%), 428(8%), 413(15%), 386(34%), 368(23%), 353(27%), 313(73%), 288(31%), 281(13%), 271(24%), 253(59%), 228(100%), 215(27%), 213(24%), 176(76%)(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)
[TOP]

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