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Casegravol isovalerate
SpectraBase Compound ID GUVxQQErSuW
InChI InChI=1S/C20H24O6/c1-13(2)11-18(22)25-12-20(3,23)10-9-15-16(24-4)7-5-14-6-8-17(21)26-19(14)15/h5-10,13,23H,11-12H2,1-4H3/b10-9+
InChIKey FPSUCNLAFSYJJZ-MDZDMXLPSA-N
Mol Weight 360.41 g/mol
Molecular Formula C20H24O6
Exact Mass 360.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4a4oduF7Qp
Name Casegravol isovalerate
Alternate Name(s) 3-Methylbutanoic acid [(E)-2-hydroxy-4-(7-methoxy-2-oxo-1-benzopyran-8-yl)-2-methylbut-3-enyl] ester [(E)-2-hydroxy-4-(7-methoxy-2-oxochromen-8-yl)-2-methylbut-3-enyl] 3-methylbutanoate [(E)-2-hydroxy-4-(7-methoxy-2-oxo-chromen-8-yl)-2-methyl-but-3-enyl] 3-methylbutanoate [(E)-4-(7-methoxy-2-oxidanylidene-chromen-8-yl)-2-methyl-2-oxidanyl-but-3-enyl] 3-methylbutanoate
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Formula C20H24O6
InChI InChI=1S/C20H24O6/c1-13(2)11-18(22)25-12-20(3,23)10-9-15-16(24-4)7-5-14-6-8-17(21)26-19(14)15/h5-10,13,23H,11-12H2,1-4H3/b10-9+
InChIKey FPSUCNLAFSYJJZ-MDZDMXLPSA-N
Molecular Weight 360.406 g/mol
SMILES OC(\C=C\c1c2OC(=O)C=Cc2ccc1OC)(COC(=O)CC(C)C)C
SPLASH splash10-0002-0090000000-ea987e8108c74a7e8328
Source of Spectrum E1-37-2218-3
Wiley ID 1517886