Obeticholic Acid Acyl-b-D-glucuronide Benzyl Ester
Product Overview
Product Code
TRC-O299115
Product Format
Neat
Molecular Formula
C39H58O10
Molecular Weight
686.87
Product Categories
Product Information
Chemical Data
Analyte Name
Obeticholic Acid Acyl-beta-D-glucuronide Benzyl Ester
Molecular Formula
C39H58O10
Molecular Weight
686.87
Accurate Mass
686.4
SMILES
O[C@@H]1CC[C@@]2(C)[C@@]([C@@H](CC)[C@@H](O)[C@]3(01)[C@]2(01)CC[C@@]4(C)[C@@]3(01)CC[C@@]4([C@H](C)CCC(O[C@@H]([C@@H]5O)O[C@H](C(OCC6=CC=CC=C6)=O)[C@@H](O)[C@@H]5O)=O)01)(01)C1
InChI
InChI=1S/C39H58O10/c1-5-24-28-19-23(40)15-17-39(28,4)27-16-18-38(3)25(12-13-26(38)30(27)31(24)42)21(2)11-14-29(41)48-37-34(45)32(43)33(44)35(49-37)36(46)47-20-22-9-7-6-8-10-22/h6-10,21,23-28,30-35,37,40,42-45H,5,11-20H2,1-4H3/t21-,23-,24-,25-,26+,27+,28+,30+,31-,32+,33+,34-,35+,37-,38-,39-/m1/s1
IUPAC
benzyl (2S,3S,4S,5R,6S)-6-(((R)-4-((3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopentaamphenanthren-17-yl)pentanoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
Product Data
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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