3'-Hydroxy Simvastatin

cas: 126313-98-2 — see every product listed under this CAS number, including other names

3'-Hydroxy Simvastatin (CAS 126313-98-2) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULS1246
cas126313-98-2
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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categoryChemicals
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[8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3-hydroxy-2,2-dimethylbutanoate (CAS 126313-98-2) is a chemical compound with the molecular formula C25H38O6 and a molecular weight of 434.6 g/mol. IUPAC name: [8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3-hydroxy-2,2-dimethylbutanoate. InChIKey: MTOKLGKFIIZWRP-UHFFFAOYSA-N.

Identity
Molecular formulaC25H38O6
Molecular weight434.6 g/mol
IUPAC name[8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3-hydroxy-2,2-dimethylbutanoate
InChIKeyMTOKLGKFIIZWRP-UHFFFAOYSA-N
SMILESCC1CC(C2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O)OC(=O)C(C)(C)C(C)O

Computed by PubChem (NCBI)

Synonyms: (Rac)-3'-Hydroxy simvastatin, (Rac)-3 inverted exclamation marka-Hydroxy simvastatin, Simvastatin Impurity 74, orb1745092
Related forms of this compound
[(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] 3-hydroxy-2,2-dimethylbutanoate C25H38O6
Isomers (same molecular formula)
[3-hydroxy-8-[2-(4-hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-2,7,8,8a-tetrahydro-1H-naphthalen-1-yl] 2,2-dimethylbutanoate C25H38O6
[(1S,3R,4S,7S,8S)-4-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,4,7,8-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate C25H38O6
[(1S,6S,7R,8S,8aR)-6-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate C25H38O6
(1R,2R,5R,10R,14R,16R,17S,18R,21S)-13-(hydroxymethyl)-2,5-dimethyl-8-propan-2-yl-15,20,22-trioxapentacyclo[12.8.0.02,10.05,9.016,21]docosa-8,12-diene-17,18-diol C25H38O6
(1'S,2'R,7'R,9'S,11'S,12'S,15'R,16'S)-2',16'-dimethyl-15'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,5'-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecane]-15'-ol C25H38O6
3,4-bis(2-ethylhexoxycarbonyl)benzoic acid C25H38O6
2,4-bis(2-ethylhexoxycarbonyl)benzoic acid C25H38O6

Also listed as

(Rac)-3′-Hydroxy simvastatin, 98% Chemat Brand CAS 126313-98-2
Simvastatin Impurity 8 Hubei YoungXin CAS 126313-98-2
(Rac)–3′–Hydroxy simvastatin GLPBio CAS 126313-98-2
(Rac)-3′-Hydroxy simvastatin, 99.71% MedChemExpress CAS 126313-98-2