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4'-Acetyl Simvastatin, TRC

Product Code. 30138115
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Product Code. 30138115 Supplier Toronto Research Chemicals Supplier No. TRCA187795100MG

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High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

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Chemical Identifiers

CAS 145576-25-6
Molecular Formula C27 H40 O6
Molecular Weight (g/mol) 460.6
Synonym (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 Imp. B (EP), Simvastatin Acetate Ester
IUPAC Name [(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
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

Specifications

Quantity 100 mg
InChI Formula 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
Formula Weight 460.2825
Chemical Name or Material Acetyl Simvastatin
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