5BETA-CHOLANIC ACID CAS#: 546-18-9

5BETA-CHOLANIC ACID Basic information

Product Name:

5BETA-CHOLANIC ACID

Synonyms:

URSOCHOLANIC ACID
5BETA-CHOLANIC ACID
5B-cholanic acid crystalline
3,12-Diketo-5&beta
5-beta-cholan-24-oic acid
(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]valeric acid
5β-Cholanic acid,Ursocholanic acid

CAS:

546-18-9

MF:

C24H40O2

MW:

360.57

Mol File:

546-18-9.mol

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5BETA-CHOLANIC ACID Chemical Properties

Melting point:: 150 °C
Boiling point:: 473.6±13.0 °C(Predicted)
Density: 1.018±0.06 g/cm3(Predicted)
storage temp.: Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly, Heated, Sonicated)
form: Solid
pka: 4.76±0.10(Predicted)
color: White to Off-White

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Safety Information

WGK Germany: 3

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5BETA-CHOLANIC ACID Usage And Synthesis

Uses

Cholanoic Acid is an impurity of Ursodeoxycholic Acid (U850000), which is used as an anticholelithogenic.

Definition

ChEBI: 5beta-cholanic acid is a cholanic acid and a member of 5beta-cholanic acids.

Purification Methods

Crystallise 5-cholanic acid from EtOH, Me2CO or AcOH. The ethyl ester has m 93-94o (from 80% EtOH), b 273o/12mm, [] D 20 +21o (CHCl3), and the methyl ester has m 86-87o (from MeOH) after purification through Al2O3 and eluting with *C6H6, and [] D 20 +21.2o (CHCl3). The 1H NMR (CDCl3) for the C18 & C19 protons has at 0.65 and 0.92ppm [see 5-cholanic acid above, Mandava et al. Steroids 23 357 1974]. [Stoll et al. Helv Chim Acta 18 644 1935, Huang-Minlon J Am Chem Soc 7 1 330 1949, Beilstein 9 III 2656, 9 IV 1992.]

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