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| | 5BETA-CHOLANIC ACID Basic information |
| Product Name: | 5BETA-CHOLANIC ACID | | Synonyms: | URSOCHOLANIC ACID;5BETA-CHOLANIC ACID;5B-cholanic acid crystalline;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;3,12-Diketo-5&beta | | CAS: | 546-18-9 | | MF: | C24H40O2 | | MW: | 360.57 | | EINECS: | | | Product Categories: | | | Mol File: | 546-18-9.mol |  |
| | 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 | | InChIKey | RPKLZQLYODPWTM-ZPEDRQGKNA-N | | SMILES | [C@]12(C)CC[C@]3([H])[C@@]4(C)CCCC[C@@]4([H])CC[C@@]3([H])[C@]1([H])CC[C@@H]2[C@H](C)CCC(=O)O |&1:0,4,6,12,16,18,22,23,r| |
| | 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.] |
| | 5BETA-CHOLANIC ACID Preparation Products And Raw materials |
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