Products 2731620-64-5

CAS 2731620-64-5 appears in our catalog under these names: Simvastatin EP Impurity K, Simvastatin impurity 6. Offered by: Biosynth, MedChemExpress. Available pack sizes: 25mg, 10mg, 50mg, 100mg, Get quote.

Simvastatin EP Impurity K
Biosynth
  • size: 25mg, 10mg, 50mg, 100mg
  • Variants: 4
View product
Simvastatin impurity 6
MedChemExpress
  • size: Get quote
  • Variants: 1
View product
Structural formula: {0} (CAS {1})

[(1S,3S,4aR,7S,8S,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] 2,2-dimethylbutanoate (CAS 2731620-64-5) is a chemical compound with the molecular formula C25H40O5 and a molecular weight of 420.6 g/mol. IUPAC name: [(1S,3S,4aR,7S,8S,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] 2,2-dimethylbutanoate. InChIKey: JJGRUACCESEJJW-DNOMIITOSA-N.

Identity
Molecular formulaC25H40O5
Molecular weight420.6 g/mol
IUPAC name[(1S,3S,4aR,7S,8S,8aS)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl] 2,2-dimethylbutanoate
InChIKeyJJGRUACCESEJJW-DNOMIITOSA-N
SMILESCCC(C)(C)C(=O)O[C@H]1C[C@H](C[C@H]2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C

Computed by PubChem (NCBI)

Synonyms: Simvastatin EP Impurity K, 4a,5-Dihydro Simvastatin, Simvastatin impurity K, 4Alpha,5-Dihydro Simvastatin, Simvastatin impurity K CRS
Isomers (same molecular formula)
bis(2-ethylhexyl) 4-(hydroxymethyl)benzene-1,2-dicarboxylate C25H40O5
methyl (4R)-4-[(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C25H40O5
methyl (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C25H40O5
methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C25H40O5
methyl (4R)-4-[(3R,5R,6R,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C25H40O5
methyl (4R)-4-[(3R,5R,8S,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C25H40O5
methyl (4R)-4-[(3R,5S,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate C25H40O5
[(1R)-1-[(2R,3S,5S,8R,9S,10S,13S,14S,16S,17R)-2,3,16-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl] 2-methylprop-2-enoate C25H40O5