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AURICULATIN
SpectraBase Compound ID L15osV9NW40
InChI InChI=1S/C25H24O6/c1-13(2)5-7-17-23-16(9-10-25(3,4)31-23)21(28)20-22(29)18(12-30-24(17)20)15-8-6-14(26)11-19(15)27/h5-6,8-12,26-28H,7H2,1-4H3
InChIKey IEKQCBVQJGWJRO-UHFFFAOYSA-N
Mol Weight 420.46 g/mol
Molecular Formula C25H24O6
Exact Mass 420.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H0NaB8LbyFb
Name 8-.gamma..gamma.-Dimethylallyl-5,2',4'-trihydroxy-[6",6"-dimethylpyrano[2",3":7,6)]isoflavanone (auriculatin)
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Formula C25H24O6
InChI InChI=1S/C25H24O6/c1-13(2)5-7-17-23-16(9-10-25(3,4)31-23)21(28)20-22(29)18(12-30-24(17)20)15-8-6-14(26)11-19(15)27/h5-6,8-12,26-28H,7H2,1-4H3
InChIKey IEKQCBVQJGWJRO-UHFFFAOYSA-N
Molecular Weight 420.461 g/mol
SMILES Oc1ccc(c(c1)O)C=1C(c2c(c(CC=C(C)C)c3c(c2O)C=CC(O3)(C)C)OC1)=O
SPLASH splash10-0ab9-0012900000-54a182c2012722875b7c
Source of Spectrum E1-40-2750-5
Synonyms 7-(2,4-dihydroxyphenyl)-5-hydroxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-6-pyrano[3,2-g][1]benzopyranone 7-[2,4-bis(oxidanyl)phenyl]-2,2-dimethyl-10-(3-methylbut-2-enyl)-5-oxidanyl-pyrano[3,2-g]chromen-6-one
Wiley ID 1551752