5-Methylsimvastatin

cas: 774611-54-0 — see every product listed under this CAS number, including other names

5-Methylsimvastatin (CAS 774611-54-0) is a chemical reagent available from Chemat. Available pack sizes: 25mg. Offered by: Mikromol.

brandMikromol
catalog numberMM0158.10-0025
cas774611-54-0
size25mg
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properties

purityNo data
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-5-methyl-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate (CAS 774611-54-0) is a chemical compound with the molecular formula C26H40O5 and a molecular weight of 432.6 g/mol. IUPAC name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-5-methyl-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate. InChIKey: NJRLXFRIDIFWPB-ZURORQQOSA-N.

Identity
Molecular formulaC26H40O5
Molecular weight432.6 g/mol
IUPAC name[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-5-methyl-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
InChIKeyNJRLXFRIDIFWPB-ZURORQQOSA-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]3C[C@H](C(C(=O)O3)C)O)C

Computed by PubChem (NCBI)

Synonyms: 2-Methyl Simvastatin (Mixture Of Diasteroisomers), 5-Methylsimvastatin, Simvastatin EP Impurity N(2-Methyl Simvastatin), Simvastatin EP Impurity N (Mixture of Diastereomers)
Related forms of this compound
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R,5S)-4-hydroxy-5-methyl-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate C26H40O5
Isomers (same molecular formula)
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate C26H40O5
[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4S)-4-methoxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate C26H40O5
propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate C26H40O5
propan-2-yl (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate C26H40O5
propan-2-yl (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate C26H40O5
propan-2-yl (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]hept-5-enoate C26H40O5

Also listed as

Simvastatin EP Impurity N(2-Methyl Simvastatin) Chemat Brand CAS 774611-54-0
2-Methyl Simvastatin (Mixture Of Diasteroisomers), >95% (HPLC) TRC CAS 774611-54-0