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(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(Acetyloxy)-6-oxotetrahydro-2H-pyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-Dimethylbutanoate (Simvastatin Acetate Ester)

Product Code

MM0158.02-0025

CAS Number

145576-25-6

EP Description

Simvastatin Impurity B

Product Format

Neat

Molecular Formula

C27 H40 O6

Molecular Weight

460.60

API Family

Simvastatin

Product Type

Impurity

Pack Size:

25 mg

60 in stock

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Product Information

Analyte Name

Acetyl Simvastatin

CAS Number

145576-25-6

Molecular Formula

C27 H40 O6

Molecular Weight

460.60

Accurate Mass

460.2825

Smiles

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

InChI

InChI=1S/C27H40O6/c1-7-27(5,6)26(30)33-23-13-16(2)12-19-9-8-17(3)22(25(19)23)11-10-20-14-21(31-18(4)28)15-24(29)32-20/h8-9,12,16-17,20-23,25H,7,10-11,13-15H2,1-6H3/t16-,17-,20+,21+,22-,23-,25-/m0/s1

IUPAC

[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-acetyloxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate

Storage Temperature

+5°C

Shipping Temperature

Room Temperature

Country of Origin

GERMANY

Product Type

Impurity

Product Format

Neat

API Family

Simvastatin
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