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Methyl 6-(6-methoxy-4,7-dimethyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate-[d9]

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General Information
Catalog: BLP-013818
CAS: 1331666-77-3
Molecular Formula: C19H15D9O5
Molecular Weight: 341.45

Chemical Structure

Description	Methyl 6-(6-methoxy-4,7-dimethyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate-[d9] is the labelled analogue of Methyl 6-(6-methoxy-4,7-dimethyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate, which is an impurity of Mycophenolic Acid.
Synonyms	methyl 6-(6-methoxy-4,7-dimethyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate-d9; methyl-d3 6-(4,6-bis(methoxy-d3)-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate; 4-Hexenoic acid, 6-[1,3-dihydro-7-methyl-4-(methyl-d3)-6-(methyl-d3-oxy)-3-oxo-5-isobenzofuranyl]-4-methyl-, methyl-d3 ester, (4E)-
IUPAC Name	trideuteriomethyl 4-methyl-6-[7-methyl-3-oxo-6-(trideuteriomethoxy)-4-(trideuteriomethyl)-1H-2-benzofuran-5-yl]hex-4-enoate
Canonical SMILES	CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OC)C
InChI	InChI=1S/C19H24O5/c1-11(7-9-16(20)22-4)6-8-14-12(2)17-15(10-24-19(17)21)13(3)18(14)23-5/h6H,7-10H2,1-5H3/i2D3,4D3,5D3
InChI Key	GSCOBKMPTPIJRW-YPSVGFCDSA-N
Solubility	Soluble in Chloroform, Dichloromethane, Ethyl Acetate
Appearance	Yellow Oily Matter