Obeticholic Acid Methyl Ester
Impurity
This molecule is a impurity of Obeticholic Acid.
In Stock
Impurity
Obeticholic Acid Methyl Ester
Cat. No. ANTPRD4273Old No. ANT-OBT-001CAS 951694-73-8In Stock
Technical Data
New Cat. No.ANTPRD4273
Old Cat. No.ANT-OBT-001
CAS951694-73-8
Mol. FormulaC27H46O4
Mol. Weight434.66 g/mol
IUPACmethyl (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
SMILESCC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCC(=O)OC)C)C)O
InChIInChI=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
InChI KeyQSDDPPUHXXAVJK-ZHWSUUDBSA-N
Description
Overview
Obeticholic Acid Methyl Ester, Obeticholic Acid, 951694-73-8, methyl (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
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Synonyms
Methyl 3alpha,7-dihydroxy-6-ethyl-5beta-cholanate6-Ethyl-3,7-dihydroxy Methyl Ester Cholan-24-oic AcidObeticholic Acid Methyl Ester951694-73-8Methyl (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 Estermethyl (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)pentanoateObeticholic Acid Impurity 31SCHEMBL17159898MFCD20270333