Analyte Name

Chenodeoxycholic Acid Diacetate Methyl Ester

CAS Number

2616-71-9

Molecular Formula

C29 H46 O6

Molecular Weight

490.672

Accurate Mass

490.329

SMILES

COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C29H46O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h17,20-25,27H,7-16H2,1-6H3/t17-,20+,21-,22-,23+,24+,25-,27+,28+,29-/m1/s1

IUPAC

methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-diacetyloxy-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