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6-Carboxy Δ-5',4',5,6-Simvastatin-[d6]

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General Information
Catalog: BLP-003095
CAS: 1346600-14-3
Molecular Formula: C25H30D6O7
Molecular Weight: 454.59

Chemical Structure

Description	A labelled intermediate which has been used in the preparation of HMG-CoA reductase inhibitors.
Synonyms	[4S-[4α,4aβ,5β(2S,4S),6β]]-4-[2,2-(Dimethyl-d6)-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	(4S,4aR,5S,6S)-4-[2,2-bis(trideuteriomethyl)butanoyloxy]-5-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-6-methyl-3,4,4a,5,6,7-hexahydronaphthalene-2-carboxylic acid
Related CAS	125206-31-7 (unlabelled)
Canonical SMILES	CCC(C)(C)C(=O)OC1CC(=CC2=CCC(C(C12)CCC3CC(CC(=O)O3)O)C)C(=O)O
InChI	InChI=1S/C25H36O7/c1-5-25(3,4)24(30)32-20-11-16(23(28)29)10-15-7-6-14(2)19(22(15)20)9-8-18-12-17(26)13-21(27)31-18/h7,10,14,17-20,22,26H,5-6,8-9,11-13H2,1-4H3,(H,28,29)/t14-,17+,18+,19-,20-,22-/m0/s1/i3D3,4D3
InChI Key	CGKWQIRKHPKYEV-YYGNBHKXSA-N