Ethyl (3alpha,5beta,6alpha,7alpha)-6-Ethyl-3,7-dihydroxycholan-24-oate
Product Specifications
CAS Number
459789-98-1
Synonyms
Ethyl (3alpha,5beta,6alpha,7alpha)-6-Ethyl-3,7-dihydroxycholan-24-oate; (3a,5b,6a,7a)-6-Ethyl-3,7-dihydroxycholan-24-oic Acid Ethyl Ester; Obeticholic 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@H](CC)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Molecular Formula
C28 H48 O4
Molecular Weight
448.678
InChI
InChI=1S/C28H48O4/c1-6-19-23-16-18(29)12-14-28(23,5)22-13-15-27(4)20(9-10-21(27)25(22)26(19)31)17(3)8-11-24(30)32-7-2/h17-23,25-26,29,31H,6-16H2,1-5H3/t17-,18-,19-,20-,21+,22+,23+,25+,26-,27-,28-/m1/s1
Additionnal Information
IUPAC name: ethyl (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-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
Shipping Conditions
Room Temperature
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