Oxo Simvastatin

cas: 1426939-44-7 — see every product listed under this CAS number, including other names

Oxo Simvastatin (CAS 1426939-44-7) is a chemical reagent available from Chemat. Available pack sizes: 25mg. Offered by: Biosynth.

brandBiosynth
catalog numberIO178972-25mg
cas1426939-44-7
size25mg
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Available pack sizes

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Biosynth 25mg price on request

properties

categoryImpurities
sub-category 1Simvastatin
purityNo data
delivery time3-4 Weeks
Structural formula: {0} (CAS {1})

[(1S,3R,7S,8S,8aR)-8-[2-[(2R)-4,6-dioxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate (CAS 1426939-44-7) is a chemical compound with the molecular formula C25H36O5 and a molecular weight of 416.5 g/mol. IUPAC name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R)-4,6-dioxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate. InChIKey: CLXCPFFIPHNUED-ZROCIVKTSA-N.

Identity
Molecular formulaC25H36O5
Molecular weight416.5 g/mol
IUPAC name[(1S,3R,7S,8S,8aR)-8-[2-[(2R)-4,6-dioxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
InChIKeyCLXCPFFIPHNUED-ZROCIVKTSA-N
SMILESCCC(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]3CC(=O)CC(=O)O3)C

Computed by PubChem (NCBI)

Synonyms: Oxo Simvastatin, Simvastatin Impurity 54
Isomers (same molecular formula)
[(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 C25H36O5
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbut-3-enoate C25H36O5
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbut-3-enoate C25H36O5
[2-[(3S,8S,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C25H36O5
(2R)-2-hydroxy-3-[(2R,6R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one C25H36O5

Also listed as

Simvastatin Impurity 12 Chemat Brand CAS 1426939-44-7
Simvastatin Impurity 54 Chemat Brand CAS 1426939-44-7
(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-((2R)-tetrahydro-4,6-dioxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl 2,2-Dimethylbutanoate TRC CAS 1426939-44-7
Simvastatin impurity 1 MedChemExpress CAS 1426939-44-7