Simvastatin Impurity 9

cas: 864357-87-9 — see every product listed under this CAS number, including other names

Simvastatin Impurity 9 (CAS 864357-87-9) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 25mg, 50mg, 100mg, 200mg. Offered by: Hubei YoungXin.

brandHubei YoungXin
catalog number2459X-10mg
cas864357-87-9
size10mg
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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Structural formula: {0} (CAS {1})

Ethyl (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate (CAS 864357-87-9) is a chemical compound with the molecular formula C27H44O6 and a molecular weight of 464.6 g/mol. IUPAC name: ethyl (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate. InChIKey: VVAUQJHCHXQKFR-MLKWKJRISA-N.

Identity
Molecular formulaC27H44O6
Molecular weight464.6 g/mol
IUPAC nameethyl (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
InChIKeyVVAUQJHCHXQKFR-MLKWKJRISA-N
SMILESCCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)OCC)O)O)C

Computed by PubChem (NCBI)

Synonyms: Simvastatin Hydroxy Acid Ethyl Ester, Simvastatin EP Impurity M, Simvastatin Impurity 49
Isomers (same molecular formula)
(2S,3R,5R,9R,10R,13R,14S,17R)-17-[(2S,3R)-3,6-dihydroxy-6-methylheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one C27H44O6
(2S,3S,4S,6R)-6-[(1S)-1-[(3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-2-methyloxane-3,4-diol C27H44O6

Also listed as

Ethyl (3R,5R)-7-((1S,2S,6R,8S,8aR)-8-((2,2-Dimethylbutanoyl)oxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoate Mikromol CAS 864357-87-9
Simvastatin Hydroxy Acid Ethyl Ester, >95% (HPLC) TRC CAS 864357-87-9