Simvastatin t-Butyldimethylsilyl Acyl-β-D-glucuronide-O-acrylate

Ref. TR-S484995

Product Information

• Name: Simvastatin t-Butyldimethylsilyl Acyl-β-D-glucuronide-O-acrylate
• Synonyms: allyl (2S,3S,5R,6S)-6-(((3R,5R)-3,5-bis((tert-butyldimethylsilyl)oxy)-7-((1S,2S,6R,8S,8aR)-8-((2,2-dimethylbutanoyl)oxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptanoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
• Brand: TRC
• Description: Applications Simvastatin t-Butyldimethylsilyl Acyl-β-D-glucuronide-O-acrylate is an intermediate in synthesizing Simvastatin Acyl-β-D-glucuronide (S485005), a metabolite of Simvastatin.References Billecke, S., et al.: Drug Metab. Dispos., 28, 1335 (2000); Draganov, D., et al.: J. Biol. Chem., 275, 33435 (2000); Igel, M., et al.: Eur. J. Clin. Pharmacol., 57, 357 (2001)

Chemical properties

• Molecular weight: 880.52
• Formula: C₄₆H₈₀O₁₂Si₂
• Color/Form: Neat
• InChI: InChI=1S/C46H80O12Si2/c1-17-23-53-41(51)40-38(49)37(48)39(50)42(56-40)55-35(47)27-32(58-60(15,16)45(8,9)10)26-31(57-59(13,14)44(5,6)7)21-22-33-29(4)19-20-30-24-28(3)25-34(36(30)33)54-43(52)46(11,12)18-2/h17,19-20,24,28-29,31-34,36-40,42,48-50H,1,18,21-23,25-27H2,2-16H3/t28-,29-,31?,32?,33-,34-,36-,37?,38-,39+,40-,42+/m0/s1
• InChI key: InChIKey=VCTKBMSLWKWJRN-DTQCORGNSA-N
• SMILES: C=CCOC(=O)[C@H]1O[C@@H](OC(=O)C[C@@H](C[C@@H](CC[C@H]2[C@@H](C)C=CC3=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@@H]32)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O)C(O)[C@@H]1O