Products 149949-01-9

CAS 149949-01-9 appears in our catalog under these names: 6S)-Hydroperoxy Simvastatin, Simvastatin Impurity 11. Offered by: Chemat Brand, Hubei YoungXin. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg.

6S)-Hydroperoxy Simvastatin
Chemat Brand
  • size: on request
  • Variants: 2
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Simvastatin Impurity 11
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
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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