Analyte Name

4-tert-Butyldimethylsilyl-5'-chloro-6'-oxo Simvastatin

CAS Number

134395-20-3

Molecular Formula

C31H51ClO6Si

Molecular Weight

583.27

Accurate Mass

582.3143

SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@H](Cl)C2=CC(=O)[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/C31H51ClO6Si/c1-11-31(7,8)29(35)37-25-14-18(2)28(32)23-17-24(33)19(3)22(27(23)25)13-12-20-15-21(16-26(34)36-20)38-39(9,10)30(4,5)6/h17-22,25,27-28H,11-16H2,1-10H3/t18-,19-,20-,21-,22+,25+,27-,28+/m1/s1

IUPAC

[(1S,3R,4S,7R,8R,8aR)-8-[2-[(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-6-oxooxan-2-yl]ethyl]-4-chloro-3,7-dimethyl-6-oxo-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 Format

Neat