Analyte Name

3-(acetyloxy)-7,12-dioxo-cholan-24-oic Acid Ethyl Ester

CAS Number

501686-62-0

Molecular Formula

C28 H42 O6

Molecular Weight

474.63

Accurate Mass

474.298

SMILES

CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2C3C(CC(=O)[C@]12C)[C@@]4(C)CC[C@H](C[C@H]4CC3=O)OC(=O)C

InChI

InChI=1S/C28H42O6/c1-6-33-25(32)10-7-16(2)20-8-9-21-26-22(15-24(31)28(20,21)5)27(4)12-11-19(34-17(3)29)13-18(27)14-23(26)30/h16,18-22,26H,6-15H2,1-5H3/t16-,18+,19-,20-,21+,22?,26?,27+,28-/m1/s1

IUPAC

ethyl (4R)-4-[(3R,5S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat