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5,2',4'-TRIHYDROXY-4'',4'',5''-(XI)-TRIMETHYL-4'',5''-DIHYDROFURANO-(7,6,2'',3'')-ISOFLAVONE
SpectraBase Compound ID 80DoyHglinS
InChI InChI=1S/C20H18O6/c1-9-20(2,3)17-15(26-9)7-14-16(19(17)24)18(23)12(8-25-14)11-5-4-10(21)6-13(11)22/h4-9,21-22,24H,1-3H3
InChIKey ZAJXQDVTLMBORN-UHFFFAOYSA-N
Mol Weight 354.36 g/mol
Molecular Formula C20H18O6
Exact Mass 354.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AlY4gJS2jUJ
Name 6-(2,4-dihydroxyphenyl)-4-hydroxy-2,3,3-trimethyl-2H-furo[3,2-g]chromen-5-one
Appearance Brown amorphous solid
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Formula C20H18O6
InChI InChI=1S/C20H18O6/c1-9-20(2,3)17-15(26-9)7-14-16(19(17)24)18(23)12(8-25-14)11-5-4-10(21)6-13(11)22/h4-9,21-22,24H,1-3H3
InChIKey ZAJXQDVTLMBORN-UHFFFAOYSA-N
Instrument Name JEOL JMS AX505HA double-focusing
Ionization Type EI
Literature Reference DOI 10.1021/np0206108
Molecular Weight 354.358 g/mol
Optical Rotation [a]D19 = -181.82 (c = 0.11, CHCl3)
Reported Formula C20H18O6
SMILES Oc1ccc(c(c1)O)C=1C(c2c(c3c(cc2OC1)OC(C3(C)C)C)O)=O
SPLASH splash10-000i-0119000000-59d59d45f6dead5c0edc
Source of Spectrum G4-67-405-4
Wiley ID 1881669