Analyte Name

(3alpha,5beta,6alpha)-3,6-Bis(((1,1-dimethylethyl)dimethylsilyl)oxy)-7-oxo-cholan-24-oic Acid

CAS Number

125112-90-5

Molecular Formula

C36H66O5Si2

Molecular Weight

635.08

Accurate Mass

634.4449

SMILES

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]4(C)CC[C@H](C[C@H]4[C@@H](O[Si](C)(C)C(C)(C)C)C3=O)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C36H66O5Si2/c1-23(14-17-29(37)38)25-15-16-26-30-27(19-21-35(25,26)8)36(9)20-18-24(40-42(10,11)33(2,3)4)22-28(36)32(31(30)39)41-43(12,13)34(5,6)7/h23-28,30,32H,14-22H2,1-13H3,(H,37,38)/t23-,24-,25-,26+,27+,28+,30+,32-,35-,36-/m1/s1

IUPAC

(4R)-4-[(3R,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat