Analyte Name

Omega-Muricholic Acid O-TBS

Molecular Formula

C36 H68 O5 Si2

Molecular Weight

637.093

Accurate Mass

636.461

SMILES

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

InChI

InChI=1S/C36H68O5Si2/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/h23-28,30-32,39H,14-22H2,1-13H3,(H,37,38)/t23-,24-,25-,26+,27+,28+,30+,31-,32-,35-,36-/m1/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat