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EXCAVATIN-D;(5'S)-7-[(2E)-4-(2,5-DIHYDRO-3-METHYL-2-OXO-5-FURANYL)-3-METHYLBUT-2-ENYLOXY]-COUMARIN
SpectraBase Compound ID BcyZ8nlFYyL
InChI InChI=1S/C19H18O5/c1-12(9-16-10-13(2)19(21)23-16)7-8-22-15-5-3-14-4-6-18(20)24-17(14)11-15/h3-7,10-11,16H,8-9H2,1-2H3/b12-7+/t16-/m0/s1
InChIKey CFNMUZCFSDMZPQ-MZTACXPWSA-N
Mol Weight 326.35 g/mol
Molecular Formula C19H18O5
Exact Mass 326.115424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nKsQCcEiQz
Name Excavatin D isomer
Alternate Name(s) 7-[(E)-3-methyl-4-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]but-2-enoxy]-1-benzopyran-2-one 7-[(E)-3-methyl-4-[(2S)-4-methyl-5-oxo-2H-furan-2-yl]but-2-enoxy]chromen-2-one 7-[(E)-3-methyl-4-[(2S)-4-methyl-5-oxidanylidene-2H-furan-2-yl]but-2-enoxy]chromen-2-one
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Formula C19H18O5
InChI InChI=1S/C19H18O5/c1-12(9-16-10-13(2)19(21)23-16)7-8-22-15-5-3-14-4-6-18(20)24-17(14)11-15/h3-7,10-11,16H,8-9H2,1-2H3/b12-7+/t16-/m0/s1
InChIKey CFNMUZCFSDMZPQ-MZTACXPWSA-N
Molecular Weight 326.348 g/mol
SMILES C1(C(=C[C@@](O1)(C\C(=C\COc1cc2OC(=O)C=Cc2cc1)C)[H])C)=O
SPLASH splash10-01ot-9701000000-042c5aec3213730d70e4
Source of Spectrum H1-53-2070-7
Wiley ID 817864