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Product Overview

Product Code

TRC-S485015

CAS Number

145576-26-7

Product Format

Neat

Molecular Formula

C26H42O6

Molecular Weight

450.61

API Family

Simvastatin

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

Simvastatin Hydroxy Acid Methyl Ester

CAS Number

145576-26-7

Molecular Formula

C26H42O6

Molecular Weight

450.61

Accurate Mass

450.2981

SMILES

CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)OC)[C@@H]12

InChI

InChI=1S/C26H42O6/c1-7-26(4,5)25(30)32-22-13-16(2)12-18-9-8-17(3)21(24(18)22)11-10-19(27)14-20(28)15-23(29)31-6/h8-9,12,16-17,19-22,24,27-28H,7,10-11,13-15H2,1-6H3/t16-,17-,19+,20+,21-,22-,24-/m0/s1

IUPAC

methyl (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate

Product Data

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Format

Neat

API Family

Simvastatin

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Simvastatin Hydroxy Acid Methyl Ester

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