Analyte Name

(3Alpha,5Beta,7Alpha,12Alpha)-3,7,12-Trihydroxycholan-2,2,3,4,4-d5-24-oic Acid Methyl Ester

CAS Number

52886-39-2

Molecular Formula

C25H37D5O5

Molecular Weight

427.63

SMILES

[2H]C1([2H])C[C@]2(C)[C@H]3C[C@H](O)[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](O)C[C@@H]2C([2H])([2H])[C@]1([2H])O)[C@H](C)CCC(=O)OC

InChI

InChI=1S/C25H42O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,26-28H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1/i9D2,11D2,16D

Unlabelled CAS Number

1448-36-8

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat