Analyte Name

2'-Ethyl Simvastatin-d6

Molecular Formula

C23H28D6O5

Molecular Weight

396.55

Accurate Mass

396.28

SMILES

O[C@@H](CC(O1)=O)C[C@H]1CC[C@H]2[C@@H](C)C=CC3=C[C@H](C)C[C@H](OC(C(C([2H])([2H])[2H])C([2H])([2H])[2H])=O)[C@@]32[H]

InChI

InChI=1S/C23H34O5/c1-13(2)23(26)28-20-10-14(3)9-16-6-5-15(4)19(22(16)20)8-7-18-11-17(24)12-21(25)27-18/h5-6,9,13-15,17-20,22,24H,7-8,10-12H2,1-4H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1/i1D3,2D3

IUPAC

(1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-(methyl-d3)propanoate-3,3,3-d3

Unlabelled CAS Number

79902-42-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat