(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-((2R)-tetrahydro-4,6-dioxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl 2,2-Dimethylbutanoate

cas: 1426939-44-7 — see every product listed under this CAS number, including other names

(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-(2-((2R)-tetrahydro-4,6-dioxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl 2,2-Dimethylbutanoate (CAS 1426939-44-7) is a chemical reagent available from Chemat. Available pack sizes: 5mg. Offered by: TRC.

• 2D
• 3D

[(1S,3R,7S,8S,8aR)-8-[2-[(2R)-4,6-dioxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate (CAS 1426939-44-7) is a chemical compound with the molecular formula C25H36O5 and a molecular weight of 416.5 g/mol. IUPAC name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R)-4,6-dioxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate. InChIKey: CLXCPFFIPHNUED-ZROCIVKTSA-N.

Identity

Molecular formula	C25H36O5
Molecular weight	416.5 g/mol
IUPAC name	[(1S,3R,7S,8S,8aR)-8-[2-[(2R)-4,6-dioxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
InChIKey	CLXCPFFIPHNUED-ZROCIVKTSA-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]3CC(=O)CC(=O)O3)C

Computed by PubChem (NCBI)

Synonyms: Oxo Simvastatin, Simvastatin Impurity 54

Isomers (same molecular formula)

[(1S,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-3-methylidene-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate C₂₅H₃₆O₅

[(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] 2,2-dimethylbut-3-enoate C₂₅H₃₆O₅

[(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] 2,2-dimethylbut-3-enoate C₂₅H₃₆O₅

[2-[(3S,8S,9S,10R,13S,14S,17S)-3-acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate C₂₅H₃₆O₅

(2R)-2-hydroxy-3-[(2R,6R)-6-hydroxy-5-[(E)-4-methyl-6-(2,6,6-trimethylcyclohexen-1-yl)hex-3-enyl]-3,6-dihydro-2H-pyran-2-yl]-2H-furan-5-one C₂₅H₃₆O₅

[(E)-2-[(1S,2S,7S)-5-(hydroxymethyl)-2-methyl-2-(4-methylpent-3-enyl)-6-oxo-7-(2-oxopropyl)cyclohept-4-en-1-yl]ethenyl] 3-methylbut-2-enoate C₂₅H₃₆O₅

(1S,4S,5S,6R,9R,10S,13R)-10-hydroxy-5,9-dimethyl-6-[(E)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid C₂₅H₃₆O₅

(1S,2S,5R,7S,9S,10S,14R,15S,19S)-19-ethyl-7,15-dihydroxy-4,14-dimethyl-20-oxatetracyclo[10.10.0.02,10.05,9]docosa-3,11-diene-13,21-dione C₂₅H₃₆O₅

[(3S,5R,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-4-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate C₂₅H₃₆O₅

(1S,4S,5S,6R,9R,10S,13R)-10-hydroxy-5,9-dimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid C₂₅H₃₆O₅

[(3S,8R,9S,10R,13S,14S,17R)-17-acetyl-17-acetyloxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate C₂₅H₃₆O₅

methyl 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate C₂₅H₃₆O₅