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VITTARIN_F;4-(3',4'-DIHYDROXYPHENYL)-6-(3'',4''-DIMETHOXYPHENYLETHYL)-7-HYDROXYDIHYDROCOUMARIN
SpectraBase Compound ID 8AQowpd67t3
InChI InChI=1S/C25H24O7/c1-30-22-8-4-14(9-24(22)31-2)3-5-16-10-18-17(15-6-7-19(26)21(28)11-15)12-25(29)32-23(18)13-20(16)27/h4,6-11,13,17,26-28H,3,5,12H2,1-2H3/t17-/m1/s1
InChIKey SKZDIDHAXZBRFK-QGZVFWFLSA-N
Mol Weight 436.46 g/mol
Molecular Formula C25H24O7
Exact Mass 436.152203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K29eAOnNMFN
Name 4-(3',4'-dihydroxyphenyl)-6-(3'',4''-dimethoxyphenylethyl)-7-hydroxydihydrocoumarin
Appearance White amorphous powder
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Formula C25H24O7
InChI InChI=1S/C25H24O7/c1-30-22-8-4-14(9-24(22)31-2)3-5-16-10-18-17(15-6-7-19(26)21(28)11-15)12-25(29)32-23(18)13-20(16)27/h4,6-11,13,17,26-28H,3,5,12H2,1-2H3/t17-/m1/s1
InChIKey SKZDIDHAXZBRFK-QGZVFWFLSA-N
Instrument Name VG 70-250S
Ionization Type EI
Literature Reference DOI 10.1021/np050060o
Molecular Weight 436.460 g/mol
Optical Rotation [a]D = -5.4 (c = 0.18, MeOH)
Reported Formula C25H24O7
SMILES Oc1ccc(cc1O)[C@]1(CC(Oc2cc(c(cc12)CCc1cc(c(cc1)OC)OC)O)=O)[H]
SPLASH splash10-0f6x-0923000000-42e9894eb06d7fa9602f
Source of Spectrum G4-68-1183-6
Synonyms Vittarin-F
Wiley ID 1879602