Cholic Acid Ethyl Ester
Product Specifications
Synonyms
Cholan-24-oic acid, 3,7,12-trihydroxy-, ethyl ester, (3α,5β,7α,12α)-; Cholic acid, ethyl ester (6CI); Ethyl cholate; Cholic Acid Ethyl Ester
Hazard Statement
No Data Available
Smiles
CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Molecular Formula
C26 H44 O5
Molecular Weight
436.62
InChI
InChI=1S/C26H44O5/c1-5-31-23(30)9-6-15(2)18-7-8-19-24-20(14-22(29)26(18,19)4)25(3)11-10-17(27)12-16(25)13-21(24)28/h15-22,24,27-29H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
Additionnal Information
IUPAC name: ethyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
CAS Number
47676-48-2
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