Obeticholic Acid –[PEG]-N-Ester

Analyte Name

Obeticholic Acid –[PEG]-N-Ester

Molecular Formula

C34 H60 O8

Molecular Weight

596.835

Accurate Mass

596.429

SMILES

CC[C@H]1[C@@H](O)C2C3CC[C@H]([C@H](C)CCC(=O)OCCOCCOCCOCCO)[C@@]3(C)CCC2[C@@]4(C)CC[C@@H](O)C[C@@H]14

InChI

InChI=1S/C34H60O8/c1-5-25-29-22-24(36)10-12-34(29,4)28-11-13-33(3)26(7-8-27(33)31(28)32(25)38)23(2)6-9-30(37)42-21-20-41-19-18-40-17-16-39-15-14-35/h23-29,31-32,35-36,38H,5-22H2,1-4H3/t23-,24-,25-,26-,27?,28?,29+,31?,32-,33-,34-/m1/s1

IUPAC

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl (4R)-4-[(3R,5S,6R,7R,10S,13R,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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat