CAS Number
Molecular Formula
C25H36O5
Product format
Neat
Molecular Weight
416.56
Shipping
Room Temperature
API Family
Synonyms
6-Exomethylenesimvastatin; 121624-18-8; Simvastatin, 3-exomethylene-; Simvastatin, 6-exomethylene-; UNII-72UQ8975UG; 72UQ8975UG; DTXSID10153319; Butanoic acid, 2, 2-dimethyl-, (1S, 7S, 8S, 8aR)-1, 2, 3, 7, 8, 8a-hexahydro-7-methyl-3-methylene-8-(2-((2R, 4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester; Butanoic acid, 2, 2-dimethyl-, 1, 2, 3, 7, 8, 8a-hexahydro-7-methyl-3-methylene-8-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester, (1S-(1alpha, 7beta, 8beta(2S*, 4S*), 8abeta))-; BUTANOIC ACID, 2, 2-DIMETHYL-, 1, 2, 3, 7, 8, 8A-HEXAHYDRO-7-METHYL-3-METHYLENE-8-(2-(TETRAHYDRO-4-HYDROXY-6-OXO-2H-PYRAN-2-YL)ETHYL)-1-NAPHTHALENYL ESTER, (1S-(1.ALPHA., 7.BETA., 8.BETA.(2S*, 4S*), 8A.BETA.))-; RefChem:104619; DTXCID5075810; 6'-Exomethylene simvastatin; [(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 and 2-dimethylbutanoate; Simvastatin Impurity I; CHEMBL3544663; SCHEMBL11961973; MFCD00153826; NS00116687; Q27266099
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 and 2-dimethylbutanoate
InChI
InChI=1S/C25H36O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,16,18-21,23,26H,2,6,9-10,12-14H2,1,3-5H3/t16-,18+,19+,20-,21-,23-/m0/s1
