Obeticholic Acid Methyl Ester
Product Overview
Product Code
TRC-O099130
CAS Number
951694-73-8
Product Format
Neat
Molecular Formula
C27 H46 O4
Molecular Weight
434.65
API Family
Obeticholic AcidProduct Categories
Product Type
ImpurityDocumentation
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Product Information
Chemical Data
Analyte Name
Obeticholic Acid Methyl Ester
CAS Number
951694-73-8
Molecular Formula
C27 H46 O4
Molecular Weight
434.65
Accurate Mass
434.3396
SMILES
CC[C@H]1[C@@H](O)[C@H]2[C@@H]3CC[C@H]([C@H](C)CCC(=O)OC)[C@@]3(C)CC[C@@H]2[C@@]4(C)CC[C@@H](O)C[C@@H]14
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
IUPAC
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-cyclopentaamphenanthren-17-yl]pentanoate
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Impurity
Product Format
Neat
API Family
Obeticholic Acid
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