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1426939-44-7

1426939-44-7 Structure

1426939-44-7 Structure
IdentificationBack Directory
[Name]

(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
[CAS]

1426939-44-7
[Synonyms]

Simvastatin Impurity 54
Simvastatin 3-Oxo Analog
Macitentan Impurity 28 Acetate
(1S,3R,7S,8S,8aR)-8-(2-((R)-4,6-dioxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
(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
Butanoic acid, 2,2-dimethyl-, (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 ester
[Molecular Formula]

C25H36O5
[MOL File]

1426939-44-7.mol
[Molecular Weight]

416.55
Chemical PropertiesBack Directory
[Boiling point ]

567.1±50.0 °C(Predicted)
[density ]

1.10±0.1 g/cm3(Predicted)
[pka]

10.55±0.40(Predicted)
Hazard InformationBack Directory
[Uses]

This compound is the oxidation product of simvastatin (S485000) using cetyltrimethylammonium dichromate.
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