6'-Carboxy simvastatin

CAS

125206-31-7

Catalog Number

ACM125206317

Category

Other Products

Molecular Weight

448.55

Molecular Formula

C₂₅H₃₆O₇

MSDS COA Spec Sheet

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Specification

Synonyms

[4S-[4α,4aβ,5β(2S*,4S*),6β]]-4-(2,2-Dimethyl-1-oxobutoxy)-3,4,4a,5,6,7-hexahydro-6-methyl-5-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-2-naphthalenecarboxylic Acid;

IUPAC Name

(2R,4S,4aR,5S,6S)-4-(2,2-dimethylbutanoyloxy)-5-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-6-methyl-2,3,4,4a,5,6-hexahydronaphthalene-2-carboxylic acid

Canonical SMILES

CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C(=O)O

InChI Key

XKRMLBJLSDIWTC-AEEZTXMNSA-N

Exact Mass

448.24600

H-Bond Acceptor

H-Bond Donor