Simvastatin-d6

Analyte Name

Simvastatin-d6

CAS Number

1002347-71-8

Molecular Formula

C25H32D6O5

Molecular Weight

424.6

Accurate Mass

424.3096

SMILES

[H][C@@]12C(C=C[C@H](C)[C@]2([H])CC[C@]3([H])OC(C[C@@H](O)C3)=O)=C[C@H](C)C[C@@H]1OC(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])CC)=O

InChI

InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1/i4D3,5D3

IUPAC

[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-bis(trideuteriomethyl)butanoate

Unlabelled CAS Number

79902-63-9

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Impurity

Product Format

Neat

API Family

Simvastatin

Purity

>95% (HPLC)