Simvastatin,1-pyreneacetyl ester

CAS

193682-18-7

Catalog Number

ACM193682187

Category

Other Products

Molecular Weight

678.852900 [g/mol]

Molecular Formula

C₄₃H₅₀O₇

MSDS COA Spec Sheet

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Specification

Synonyms

[1S-[1a(bS*,dS*),2a,6b,8b,8aa]]-1-pyreneacetic Acid, Anhydride with 8-(2,2-Dimethyl-1-oxobutoxy)-1,2,6,7,8,8a-hexahydro-b,d-dihydroxy-2,6-dimethyl-1-naphthaleneheptanoic Acid;Simvastatin, 1-Pyreneacetyl Ester;[1S-[1a(S*,dS*),2a,6,8,8aa]]-1-pyreneacetic A

IUPAC Name

(2-oxo-2-pyren-1-ylethyl) (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate

Canonical SMILES

CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)OCC(=O)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)O)O)C

InChI Key

WAGCOTZTJMQDOW-TXXDJFRHSA-N

Exact Mass

678.35600

H-Bond Acceptor

H-Bond Donor