(1S,3R,4aS,7S,8S,8aS)-8-{2-[(2R,4R)-4-{[Dimethyl(2-Methyl-2-Propanyl)Silyl]Oxy}-6-Oxotetrahydro-2H-Pyran-2-Yl]Ethyl}-4A-Hydroxy-3,7-Dimethyl-1,2,3,4,4A,7,8,8A-Octahydro-1-Naphthalenyl 2,2-Dimethylbuta Noate
[CAS# 125142-16-7]

Identification

• Name: (1S,3R,4aS,7S,8S,8aS)-8-{2-[(2R,4R)-4-{[Dimethyl(2-Methyl-2-Propanyl)Silyl]Oxy}-6-Oxotetrahydro-2H-Pyran-2-Yl]Ethyl}-4A-Hydroxy-3,7-Dimethyl-1,2,3,4,4A,7,8,8A-Octahydro-1-Naphthalenyl 2,2-Dimethylbuta Noate
• Synonyms: 4-tert-Butyldimethylsilyl-4a'-hydroxy Simvastatin
• Molecular Formula: C₃₁H₅₄O₆Si
• Molecular Weight: 550.84
• CAS Registry Number: 125142-16-7
• SMILES: O=C(O[C@H]3C[C@@H](C)C[C@]2(O)\C=C/[C@@H]([C@H](CC[C@H]1OC(=O)C[C@H](O[Si](C(C)(C)C)(C)C)C1)[C@H]23)C)C(C)(C)CC
• InChI: 1S/C31H54O6Si/c1-11-30(7,8)28(33)36-25-16-20(2)19-31(34)15-14-21(3)24(27(25)31)13-12-22-17-23(18-26(32)35-22)37-38(9,10)29(4,5)6/h14-15,20-25,27,34H,11-13,16-19H2,1-10H3/t20-,21+,22-,23-,24+,25+,27+,31-/m1/s1
• InChIKey: PNTVVZJLRPNFKC-OMHVBIQFSA-N

Properties

• Density: 1.055g/cm³ (Cal.)
• Boiling point: 592.305°C at 760 mmHg (Cal.)
• Flash point: 312.015°C (Cal.)
• Refractive index: 1.506 (Cal.)