6'-Hydroxymethyl Simvastatin

• CAS: 128241-03-2
• Catalog Number: ACM128241032
• Category: Other Products
• Molecular Weight: 434.57
• Molecular Formula: C25H38O6
• Synonyms: [1S-[1a,3a,7a,8b(2S*,4S*),8ab]]-1,2,3,7,8,8a-hexahydro-3-(hydroxymethyl)-7-methyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-py;[1S-[1a,3a,7a,8b(2S*,4S*),8ab]]-1,2,3,7,8,8a-hexahydro-3-(hydroxymethyl)-7-methyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethy
• IUPAC Name: [(1S,3R,7S,8S,8aR)-3-(hydroxymethyl)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
• Canonical SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)CO
• InChI Key: ATPFRGQBOVFFQM-HGQWONQESA-N
• Boiling Point: 608.5ºC at 760 mmHg
• Melting Point: 75-80 °C
• Flash Point: 200.9ºC
• Density: 1.16g/cm³
• Exact Mass: 434.26700
• H-Bond Acceptor: 6
• H-Bond Donor: 2