(3R)-Hydroxperoxy Simvastatin

cas: 1092716-42-1 — see every product listed under this CAS number, including other names

(3R)-Hydroxperoxy Simvastatin (CAS 1092716-42-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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catalog numberRM-S132258
cas1092716-42-1
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Structural formula: {0} (CAS {1})

[(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 (CAS 1092716-42-1) is a chemical compound with the molecular formula C25H38O7 and a molecular weight of 450.6 g/mol. IUPAC name: [(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. InChIKey: FOGQBCWWWLNSOK-IZNVKPSSSA-N.

Identity
Molecular formulaC25H38O7
Molecular weight450.6 g/mol
IUPAC name[(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
InChIKeyFOGQBCWWWLNSOK-IZNVKPSSSA-N
SMILESCCC(C)(C)C(=O)O[C@H]1C[C@@](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)(C)OO

Computed by PubChem (NCBI)

Synonyms: (3R)-Hydroxperoxy Simvastatin
Related forms of this compound
[(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
Isomers (same molecular formula)
[(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 C25H38O7
[2-[(3R,5R,8S,9S,10S,11S,13S,14S,17R)-3-acetyloxy-11,17-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C25H38O7
(8S,9S,10R,11S,13S,14S,17R)-9,11,12,12-tetradeuterio-17-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]-10,13-dimethylspiro[1,2,4,7,8,14,15,16-octahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-11,17-diol C25H38O7
(8'S,9'R,10'R,11'R,13'S,14'R,17'S)-17'-[2-(hydroxymethyl)-1,3-dioxolan-2-yl]-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene]-11',17'-diol C25H38O7

Also listed as

Simvastatin Impurity 13 Hubei YoungXin CAS 1092716-42-1