๐ Synonyms
Obeticholic Acid Methyl Ester
951694-73-8
Methyl (R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
(3a,5ss,6a,7a)-6-ethyl-3,7-dihydroxy-cholan-24-oic acid methyl ester
Methyl 3a,7-dihydroxy-6-ethyl-5ss-cholanate
Obeticholic Acid Methyl Ester
methyl (R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
Obeticholic Acid Impurity 31
SCHEMBL17159898
MFCD20270333
๐ฌ Chemical Identifiers
SMILES
C(C)[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]2CC[C@@]3([C@H](CC[C@H]3[C@@H]2[C@@H]1O)[C@@H](CCC(=O)OC)C)C)C)O
InChI
InChI=1S/C27H46O4/c1-6-18-22-15-17(28)11-13-27(22,4)21-12-14-26(3)19(16(2)7-10-23(29)31-5)8-9-20(26)24(21)25(18)30/h16-22,24-25,28,30H,6-15H2,1-5H3/t16-,17-,18-,19-,20+,21+,22+,24+,25-,26-,27-/m1/s1
InChIKey
QSDDPPUHXXAVJK-ZHWSUUDBSA-N
PubChem CID
11102134