Analyte Name

4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin

CAS Number

125142-16-7

Molecular Formula

C31 H54 O6 Si

Molecular Weight

550.84

Accurate Mass

550.369

SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C[C@]2(O)C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)O3)O[Si](C)(C)C(C)(C)C)[C@H]12

InChI

InChI=1S/C31H54O6Si/c1-11-30(7,8)28(33)36-25-16-20(2)19-31(34)15-14-21(3)24(27(25)31)13-12-22-17-23(18-26(32)35-22)37-38(9,10)29(4,5)6/h14-15,20-25,27,34H,11-13,16-19H2,1-10H3/t20-,21+,22-,23-,24+,25+,27-,31-/m1/s1

IUPAC

[(1S,3R,4aS,7S,8S,8aR)-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-4a-hydroxy-3,7-dimethyl-2,3,4,7,8,8a-hexahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat