Analyte Name

Simvastatin-D11 (2,2-dimethylbutanoate-D11)

CAS Number

1002347-74-1

Molecular Formula

C25 D11 H27 O5

Molecular Weight

429.634

Accurate Mass

429.341

SMILES

[2H]C([2H])([2H])C([2H])([2H])C(C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12)(C([2H])([2H])[2H])C([2H])([2H])[2H]

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/i1D3,4D3,5D3,6D2

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] 3,3,4,4,4-pentadeuterio-2,2-bis(trideuteriomethyl)butanoate

Unlabelled CAS Number

79902-63-9

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat