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Product Overview

Product Code

TRC-D289830

CAS Number

1449248-72-9

EP Description

Simvastatin EP Impurity G

Product Format

Neat

Molecular Formula

C25 H36 O5

Molecular Weight

416.55

API Family

Simvastatin

Product Categories

Impurity Reference Materials , TRC

Product Type

Impurity, Bioactive Small Molecule

Alternate CAS Number

Racemic: 1246815-38-2

Documentation

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Product Information

Chemical Data

Analyte Name

Methylene Simvastatin

CAS Number

1449248-72-9

Molecular Formula

C25 H36 O5

Molecular Weight

416.55

Accurate Mass

416.2563

SMILES

C[C@@H]1C[C@H](OC(=O)C(C)(C)C=C)[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=CC2=C1

InChI

InChI=1S/C25H36O5/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/h6-8,11,15-16,18-21,23,26H,1,9-10,12-14H2,2-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1

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-dimethylbut-3-enoate

Alternate CAS Number

Racemic: 1246815-38-2

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Simvastatin

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