Simvastatin Impurity 48

cas: 149949-05-3 — see every product listed under this CAS number, including other names

Simvastatin Impurity 48 (CAS 149949-05-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-S132248
cas149949-05-3
sizeon request
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[(1S,3R,4S,7S,8S)-4-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,7,8-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate (CAS 149949-05-3) is a chemical compound with the molecular formula C25H38O6 and a molecular weight of 434.6 g/mol. IUPAC name: [(1S,3R,4S,7S,8S)-4-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,7,8-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate. InChIKey: PHYROLUQFDDXMM-LDTLXGEBSA-N.

Identity
Molecular formulaC25H38O6
Molecular weight434.6 g/mol
IUPAC name[(1S,3R,4S,7S,8S)-4-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,7,8-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
InChIKeyPHYROLUQFDDXMM-LDTLXGEBSA-N
SMILESCCC(C)(C)C(=O)O[C@H]1C[C@H]([C@@H](C2=C1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)O)C

Computed by PubChem (NCBI)

Synonyms: 5(S)-Hydroxy Simvastatin, Simvastatin Impurity 48
Isomers (same molecular formula)
[3-hydroxy-8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate C25H38O6
[8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3-hydroxy-2,2-dimethylbutanoate C25H38O6
[(1S,6S,7R,8S,8aR)-6-hydroxy-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 C25H38O6
(1R,2R,5R,10R,14R,16R,17S,18R,21S)-13-(hydroxymethyl)-2,5-dimethyl-8-propan-2-yl-15,20,22-trioxapentacyclo[12.8.0.02,10.05,9.016,21]docosa-8,12-diene-17,18-diol C25H38O6
[(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] 3-hydroxy-2,2-dimethylbutanoate C25H38O6
(1'S,2'R,7'R,9'S,11'S,12'S,15'R,16'S)-2',16'-dimethyl-15'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,5'-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecane]-15'-ol C25H38O6
3,4-bis(2-ethylhexoxycarbonyl)benzoic acid C25H38O6
2,4-bis(2-ethylhexoxycarbonyl)benzoic acid C25H38O6

Also listed as

(4S)-Hydroxy Simvastatin Chemat Brand CAS 149949-05-3
Simvastatin Impurity 17 Hubei YoungXin CAS 149949-05-3