(1S,3R,7S,8S,8aR)-3,7-Dimethyl-8-(2-((2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-Dimethylbutanoate (Anhydrosimvastatin)

cas: 210980-68-0 — see every product listed under this CAS number, including other names

(1S,3R,7S,8S,8aR)-3,7-Dimethyl-8-(2-((2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-Dimethylbutanoate (Anhydrosimvastatin) (CAS 210980-68-0) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: Mikromol.

• 2D
• 3D

[(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate (CAS 210980-68-0) is a chemical compound with the molecular formula C25H36O4 and a molecular weight of 400.5 g/mol. IUPAC name: [(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate. InChIKey: BIYWBTKPNWCYHM-RLSQPJRHSA-N.

Identity

Molecular formula	C25H36O4
Molecular weight	400.5 g/mol
IUPAC name	[(1S,3R,7S,8S,8aR)-3,7-dimethyl-8-[2-[(2R)-6-oxo-2,3-dihydropyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate
InChIKey	BIYWBTKPNWCYHM-RLSQPJRHSA-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=CC(=O)O3)C

Computed by PubChem (NCBI)

Synonyms: Anhydro simvastatin, Dehydrosimvastatin, Anhydro-simvastatin, ANHYDRO SIMVASTATIN [USP-RS], Simvastatin specified impurity C [EP], SIMVASTATIN IMPURITY C [EP IMPURITY], ANHYDRO SIMVASTATIN (USP-RS), SIMVASTATIN IMPURITY C (EP IMPURITY), Simvastatin impurity, anhydro simvastatin-(USP), Simvastatin impurity, anhydro simvastatin-[USP]

Isomers (same molecular formula)

(1'R,2S,3S,3'S,4'R,5R,7'S,8'E,11'R)-4'-hydroxy-1',3,4'-trimethyl-5-(2-methylprop-1-enyl)-6'-oxospiro[oxolane-2,12'-tricyclo[9.3.0.03,7]tetradec-8-ene]-8'-carbaldehyde C₂₅H₃₆O₄

2-(10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl)-6-methoxy-3,5-dimethylpyran-4-one C₂₅H₃₆O₄

7-[(Z)-2-[(1S,3aR,7aS)-7a-methyl-1-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene C₂₅H₃₆O₄

[(8R,9S,10R,13S,14S,17R)-17-acetyl-3-ethoxy-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate C₂₅H₃₆O₄

(9S,10R,13S,14R,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane] C₂₅H₃₆O₄

3,5-dihydroxy-4,6,6-tris(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one C₂₅H₃₆O₄

(9R,10S,13S,14R,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)spiro[1,2,4,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane] C₂₅H₃₆O₄

[(13S,17S)-17-acetyloxy-13,17-diethyl-2,7,8,9,10,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate C₂₅H₃₆O₄

7-[(E)-2-[(1S,3aR,7aS)-7a-methyl-1-(2-methyl-1,3-dioxolan-2-yl)-1,2,3,3a,6,7-hexahydroinden-4-yl]ethenyl]-8-methyl-1,4-dioxaspiro[4.5]dec-7-ene C₂₅H₃₆O₄

(1S,4S,5S,6R,9S,10R,13R)-5,9-dimethyl-6-[(Z)-2-methylbut-2-enoyl]oxy-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid C₂₅H₃₆O₄

3-[5-[2-[(1R,2R,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]ethyl]-3,6-dihydro-2H-pyran-2-yl]-2-hydroxy-2H-furan-5-one C₂₅H₃₆O₄

[3-acetyloxy-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylphenyl] acetate C₂₅H₃₆O₄