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3-(1,3-benzodioxol-5-yl)-7-[(2E,5E)-3,7-dimethyl-7-oxidanyl-octa-2,5-dienoxy]-6-methoxy-chromen-4-one
SpectraBase Compound ID CO8I2HLdpY4
InChI InChI=1S/C27H28O7/c1-17(6-5-10-27(2,3)29)9-11-31-25-14-22-19(13-23(25)30-4)26(28)20(15-32-22)18-7-8-21-24(12-18)34-16-33-21/h5,7-10,12-15,29H,6,11,16H2,1-4H3/b10-5+,17-9+
InChIKey BJBINROOJFYWBC-FOHIQKNHSA-N
Mol Weight 464.51 g/mol
Molecular Formula C27H28O7
Exact Mass 464.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cweNeU7Tk
Name 3-(1,3-benzodioxol-5-yl)-7-[(2E,5E)-3,7-dimethyl-7-oxidanyl-octa-2,5-dienoxy]-6-methoxy-chromen-4-one
Alternate Name(s) 3-(1,3-benzodioxol-5-yl)-7-[(2E,5E)-7-hydroxy-3,7-dimethyl-octa-2,5-dienoxy]-6-methoxy-chromen-4-one 3-(1,3-benzodioxol-5-yl)-7-[(2E,5E)-7-hydroxy-3,7-dimethyl-octa-2,5-dienoxy]-6-methoxy-chromone 3-(1,3-benzodioxol-5-yl)-7-[(2E,5E)-7-hydroxy-3,7-dimethylocta-2,5-dienoxy]-6-methoxy-1-benzopyran-4-one
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Formula C27H28O7
InChI InChI=1S/C27H28O7/c1-17(6-5-10-27(2,3)29)9-11-31-25-14-22-19(13-23(25)30-4)26(28)20(15-32-22)18-7-8-21-24(12-18)34-16-33-21/h5,7-10,12-15,29H,6,11,16H2,1-4H3/b10-5+,17-9+
InChIKey BJBINROOJFYWBC-FOHIQKNHSA-N
Molecular Weight 464.514 g/mol
SMILES OC(\C=C\C\C(=C\COc1cc2OC=C(C(c2cc1OC)=O)c1cc2OCOc2cc1)C)(C)C
SPLASH splash10-03dr-0109000000-c980c8741e69c0df9812
Source of Spectrum G4-61-382-2
Wiley ID 1607136