(4S,5S,6S,7S,9R)-5-{2-[(2R,4R)-4-{[Dimethyl(2-Methyl-2-Propanyl)Silyl]Oxy}-6-Oxotetrahydro-2H-Pyran-2-Yl]Ethyl}-4-Methyl-11-Oxatricyclo[7.2.1.0^1,6]Dodec-2-En-7-Yl 2,2-Dimethylbutanoate
[CAS# 125175-64-6]

Identification

• Name: (4S,5S,6S,7S,9R)-5-{2-[(2R,4R)-4-{[Dimethyl(2-Methyl-2-Propanyl)Silyl]Oxy}-6-Oxotetrahydro-2H-Pyran-2-Yl]Ethyl}-4-Methyl-11-Oxatricyclo[7.2.1.0^1,6]Dodec-2-En-7-Yl 2,2-Dimethylbutanoate
• Synonyms: 4a',6'-Anhydro-4-tert-butyldimethylsilyl Simvastatin
• Molecular Formula: C₃₁H₅₂O₆Si
• Molecular Weight: 548.83
• CAS Registry Number: 125175-64-6
• SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@@H]2C[C@]3([C@H]1[C@H]([C@H](C=C3)C)CC[C@@H]4C[C@H](CC(=O)O4)O[Si](C)(C)C(C)(C)C)OC2
• InChI: 1S/C31H52O6Si/c1-10-30(6,7)28(33)36-25-15-21-18-31(34-19-21)14-13-20(2)24(27(25)31)12-11-22-16-23(17-26(32)35-22)37-38(8,9)29(3,4)5/h13-14,20-25,27H,10-12,15-19H2,1-9H3/t20-,21+,22+,23+,24-,25-,27-,31+/m0/s1
• InChIKey: RYABJKPQYNQPOE-OBRNGWCRSA-N

Properties

• Density: 1.072g/cm³ (Cal.)
• Boiling point: 594.734°C at 760 mmHg (Cal.)
• Flash point: 260.354°C (Cal.)
• Refractive index: 1.51 (Cal.)