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Bile acid


DATA No : BBA0698 INFORMANT : Takashi Iida

NAME : 3a,7a,17a-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: 1026, 1069, 1367, 1382, 1729, 2872, 2932, 3606(Ref. 0228)

NMR SPECTRA:Me ester-3,7-diacetate 1H-NMR (CDCl3; 500MHz) d: 18-Me 0.73(s), 21-Me 0.91(d), 19-Me 0.94(s), 3a- and 7a-OCOMe 2.03 and 2.06(each s), 23-H 2.25(m), 23'-H 2.43(m), COOMe 3.67(s), 3b-H 4.59(m), 7b-H 4.91(m)(Ref. 0228)
Me ester-3,7-diacetate 13C-NMR (CDCl3; 125MHz) d: C-1 34.8, C-2 26.6, C-3 74.1, C-4 34.5, C-5 40.9, C-6 31.2, C-7 71.0, C-8 38.1, C-9 33.8, C-10 34.7, C-11 20.4, C-12 32.0, C-13 47.6, C-14 44.9, C-15 22.8, C-16 37.8, C-17 86.0, C-18 14.0, C-19 22.6, C-20 39.1, C-21 13.4, C-22 27.3, C-23 32.0, C-24 174.5, C-25 51.4(Ref. 0228)

MASS SPECTRA:Me ester-3,7-diacetate m/z: 446(5%), 428(15%), 413(17%), 386(6%), 373(13%), 368(16%), 353(34%), 313(41%), 288(17%), 281(31%), 271(6%), 253(100%), 228(56%), 215(20%), 213(18%), 171(50%)(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.