6S)-Hydroperoxy Simvastatin

cas: 149949-01-9 — see every product listed under this CAS number, including other names

6S)-Hydroperoxy Simvastatin (CAS 149949-01-9) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-S132256
cas149949-01-9
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Structural formula: {0} (CAS {1})

[(1S,6S,7R,8S,8aR)-6-hydroperoxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate (CAS 149949-01-9) is a chemical compound with the molecular formula C25H38O7 and a molecular weight of 450.6 g/mol. IUPAC name: [(1S,6S,7R,8S,8aR)-6-hydroperoxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate. InChIKey: GORLEWXBBZEXHV-VVSCFXOTSA-N.

Identity
Molecular formulaC25H38O7
Molecular weight450.6 g/mol
IUPAC name[(1S,6S,7R,8S,8aR)-6-hydroperoxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
InChIKeyGORLEWXBBZEXHV-VVSCFXOTSA-N
SMILESCCC(C)(C)C(=O)O[C@H]1CC(=CC2=C[C@H]([C@@H]([C@@H]([C@@H]12)CC[C@@H]3C[C@H](CC(=O)O3)O)C)OO)C

Computed by PubChem (NCBI)

Synonyms: 6S)-Hydroperoxy Simvastatin
Isomers (same molecular formula)
[(1S,3S,7S,8S,8aR)-3-hydroperoxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate C25H38O7
[(1S,3R,7S,8S,8aR)-3-hydroperoxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate C25H38O7

Also listed as

Simvastatin Impurity 11 Hubei YoungXin CAS 149949-01-9