Analyte Name

Obeticholic Acid-D4

CAS Number

2025364-15-0

Molecular Formula

C26H40D4O4

Molecular Weight

424.65

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])([C@H](O)[C@H](CC)[C@@]1(C([C@H](O)C(C2)([2H])[2H])([2H])[2H])[H])[H])[H]

InChI

InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1/i10D2,14D2

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Neat