(1S,3R,4S,4aS,7S,8S,8aS)-4-Chloro-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- Dimethylbutanoate
[CAS# 123852-10-8]

Identification

• Name: (1S,3R,4S,4aS,7S,8S,8aS)-4-Chloro-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- Dimethylbutanoate
• Synonyms: 4-tert-Butyldimethylsilyl-5'-chloro-4a'-hydroxy Simvastatin
• Molecular Formula: C₃₁H₅₃ClO₆Si
• Molecular Weight: 585.29
• CAS Registry Number: 123852-10-8
• SMILES: Cl[C@@H]3[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]2[C@@H](OC(=O)C(C)(C)CC)C[C@H]3C)C
• InChI: 1S/C31H53ClO6Si/c1-11-30(7,8)28(34)37-24-16-20(3)27(32)31(35)15-14-19(2)23(26(24)31)13-12-21-17-22(18-25(33)36-21)38-39(9,10)29(4,5)6/h14-15,19-24,26-27,35H,11-13,16-18H2,1-10H3/t19-,20+,21+,22+,23-,24-,26-,27-,31-/m0/s1
• InChIKey: DUYDNPDLGLCXCC-FSYOVWAKSA-N

Properties

• Density: 1.096g/cm³ (Cal.)
• Boiling point: 618.944°C at 760 mmHg (Cal.)
• Flash point: 328.126°C (Cal.)
• Refractive index: 1.51 (Cal.)