6-Oxo Simvastatin

CAS: 130468-11-0

Ref. TR-O862300

Product Information

• Name: 6-Oxo Simvastatin
• Synonyms: Butanoic acid, 2,2-dimethyl-, (1S,7R,8R,8aR)-1,2,6,7,8,8a-hexahydro-3,7-dimethyl-6-oxo-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester (9CI, ACI), (1S,7R,8R,8aR)-1,2,6,7,8,8a-Hexahydro-3,7-dimethyl-6-oxo-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl 2,2-dimethylbutanoate (ACI), Butanoic acid, 2,2-dimethyl-, 1,2,6,7,8,8a-hexahydro-3,7-dimethyl-6-oxo-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1α,7β,8β(2S*,4S*),8aβ]]- (ZCI), L 669262
• Brand: TRC
• Description: Applications 6-Oxo Simvastatin is an analog of Simvastatin (S485000), a HMG-CoA reductase inhibitor.References Joshua, H., et al.: J. Antibiot., 44, 366 (1991),

Chemical properties

• Molecular weight: 432.55
• Formula: C₂₅H₃₆O₆
• Color/Form: Neat
• InChI: InChI=1S/C25H36O6/c1-6-25(4,5)24(29)31-21-10-14(2)9-16-11-20(27)15(3)19(23(16)21)8-7-18-12-17(26)13-22(28)30-18/h9,11,15,17-19,21,23,26H,6-8,10,12-13H2,1-5H3/t15-,17-,18-,19+,21+,23?/m1/s1
• InChI key: InChIKey=NPDFVGFXQSJBAA-ZBDDBYLNSA-N
• SMILES: CCC(C)(C)C(=O)O[C@H]1CC(C)=CC2=CC(=O)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21