Products 121624-18-8

CAS 121624-18-8 appears in our catalog under these names: Simvastatin Impurity 11, Simvastatin Impurity I, 6’-Exomethylene Simvastatin. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 50mg.

Structural formula: {0} (CAS {1})

[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-methylidene-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate (CAS 121624-18-8) is a chemical compound with the molecular formula C25H36O5 and a molecular weight of 416.5 g/mol. IUPAC name: [(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-methylidene-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate. InChIKey: WDTQWJUBUXHODX-BGYTUHEHSA-N.

Identity
Molecular formulaC25H36O5
Molecular weight416.5 g/mol
IUPAC name[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-methylidene-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate
InChIKeyWDTQWJUBUXHODX-BGYTUHEHSA-N
SMILESCCC(C)(C)C(=O)O[C@H]1CC(=C)C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O

Computed by PubChem (NCBI)