Obeticholic Acid Dimer
Impurity
This molecule is a impurity of Obeticholic Acid.
Impurity
Obeticholic Acid Dimer
Cat. No. ANTPRD14322CAS 1908444-28-9Please EnquireSynthesized
Technical Data
Cat. No.ANTPRD14322
CAS1908444-28-9
Mol. FormulaC52H86O7
Mol. Weight823.253 g/mol
IUPAC(4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-[(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]pentanoyl]oxy-7-hydroxy-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
SMILESCC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O[C@@H]4CC[C@@]5(C)[C@@H](C4)[C@@H](CC)[C@@H](O)[C@@H]4[C@@H]5CC[C@]5(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@@H]45)CC[C@@H]23)[C@@]2(C)CC[C@@H](O)C[C@@H]12
InChIInChI=1S/C52H86O7/c1-9-33-41-27-31(53)19-23-51(41,7)39-21-25-50(6)36(14-16-37(50)45(39)47(33)57)30(4)12-18-44(56)59-32-20-24-52(8)40-22-26-49(5)35(29(3)11-17-43(54)55)13-15-38(49)46(40)48(58)34(10-2)42(52)28-32/h29-42,45-48,53,57-58H,9-28H2,1-8H3,(H,54,55)/t29-,30-,31-,32-,33-,34-,35-,36-,37+,38+,39+,40+,41+,42+,45+,46+,47-,48-,49-,50-,51-,52-/m1/s1
InChI KeyCJNVDKNEYRWTNW-GBWJVFIXSA-N
Description
Overview
Obeticholic Acid Dimer, Obeticholic Acid, 1908444-28-9, (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-[(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]pentanoyl]oxy-7-hydroxy-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
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Synonyms
7-epi-Obeticholic acid 3-obeticholate esterObeticholic acid dimer impurity, 24-3'Obeticholic Acid Impurity C(R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3-(((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)pentanoyl)oxy)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acidCHOLAN-24-OIC ACID, 6-ETHYL-3,7-DIHYDROXY-, (3.ALPHA.,5.BETA.,6.ALPHA.,7.ALPHA.)-23-CARBOXY-6-ETHYL-7-HYDROXY-24-NORCHOLAN-3-YL ESTER, (3.ALPHA.,5.BETA.,6.ALPHA.,7.ALPHA.)-Cholan-24-oic acid, 6-ethyl-3,7-dihydroxy-, (3alpha,5beta,6alpha,7alpha)-23-carboxy-6-ethyl-7-hydroxy-24-norcholan-3-yl ester, (3alpha,5beta,6alpha,7alpha)-

