(7R,8S,8aR)-6-Hydroxy-8-{2-[(2R,4R)-4-Hydroxy-6-Oxotetrahydro-2H-Pyran-2-Yl]Ethyl}-3,7-Dimethyl-1,2,6,7,8,8A-Hexahydro-1-Naphthalenyl 2,2-Dimethylbutanoate
[CAS# 133645-46-2]

Identification

• Name: (7R,8S,8aR)-6-Hydroxy-8-{2-[(2R,4R)-4-Hydroxy-6-Oxotetrahydro-2H-Pyran-2-Yl]Ethyl}-3,7-Dimethyl-1,2,6,7,8,8A-Hexahydro-1-Naphthalenyl 2,2-Dimethylbutanoate
• Synonyms: 3'(S)-Hydroxy Simvastatin
• Molecular Formula: C₂₅H₃₈O₆
• Molecular Weight: 434.57
• CAS Registry Number: 133645-46-2
• SMILES: CCC(C)(C)C(=O)OC1CC(=CC2=CC([C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)O)C
• InChI: 1S/C25H38O6/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/h9,11,15,17-21,23,26-27H,6-8,10,12-13H2,1-5H3/t15-,17-,18-,19+,20?,21?,23+/m1/s1
• InChIKey: ZHTMJJNBYMYMRV-YQUQOQQQSA-N

Properties

• Density: 1.163g/cm³ (Cal.)
• Boiling point: 606.443°C at 760 mmHg (Cal.)
• Flash point: 200.091°C (Cal.)
• Refractive index: 1.542 (Cal.)