(1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-Acetoxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate, 99+%

cas: 145576-25-6 — see every product listed under this CAS number, including other names

(1S,3R,7S,8S,8aR)-8-(2-((2R,4R)-4-Acetoxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate, 99+% (CAS 145576-25-6) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 50mg, 100mg, 250mg. Offered by: BLDpharm.

• 2D
• 3D

[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-acetyloxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate (CAS 145576-25-6) is a chemical compound with the molecular formula C27H40O6 and a molecular weight of 460.6 g/mol. IUPAC name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-acetyloxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate. InChIKey: OHVWRJDVJRNCPE-BIKFJBPRSA-N.

Identity

Molecular formula	C27H40O6
Molecular weight	460.6 g/mol
IUPAC name	[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-acetyloxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
InChIKey	OHVWRJDVJRNCPE-BIKFJBPRSA-N
SMILES	CCC(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](CC(=O)O3)OC(=O)C)C

Computed by PubChem (NCBI)

Synonyms: Acetyl simvastatin, Simvastatin Acetate, Simvastatin acetate ester, 4'-Acetylsimvastatin, ACETYL SIMVASTATIN [USP-RS], Simvastatin specified impurity B [EP], SIMVASTATIN IMPURITY B [EP IMPURITY], ACETYL SIMVASTATIN (USP-RS), SIMVASTATIN IMPURITY B (EP IMPURITY), Simvastatin impurity, acetyl simvastatin-(USP)

Isomers (same molecular formula)

[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] hexanoate C₂₇H₄₀O₆

5-methyl-5-[(3S,5R,7S,10S,13R,14R,15R,17S)-3,7,15-trihydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxolan-2-one C₂₇H₄₀O₆

[(1R)-2-[(1R,2S,4aS,4bS,8aS,10aS)-2-formyl-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthren-1-yl]-1-[(2R)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl] acetate C₂₇H₄₀O₆

(4R)-4-[(3S,5R,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C₂₇H₄₀O₆

(4R)-4-[(5R,10S,13R,14R,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C₂₇H₄₀O₆

methyl 4-(3-acetyloxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate C₂₇H₄₀O₆