3-[2,4-Dihydroxy-5-(2-Methyl-3-Buten-2-Yl)-3-(3-Methyl-2-Buten-1-Yl)Phenyl]-5,7-Dihydroxy-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C25H26O6
IUPAC Name 3-[5-(1,1-dimethylallyl)-2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chromen-4-one
Molecular Mass 422.470 g·mol−1
Heat of Formation -871.6 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 497.13 Å 3
Surface Area 424.64 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-(gamma,gamma-dimethylallyl)-5'-(alpha,alpha-dimethylallyl)-5,7,2',4'-tetrahydroxyisoflavone
  • 3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chromen-4-one
  • 3-[2,4-dihydroxy-5-(2-methylbut-3-en-2-yl)-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxychromen-4-one
  • 3-[5-(1,1-dimethylprop-2-enyl)-2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-4-chromenone
  • 3-[5-(1,1-dimethylprop-2-enyl)-2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chromen-4-one
  • 3-[5-(1,1-dimethylprop-2-enyl)-2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-chromone
  • 4h-1-benzopyran-4-one, 3-(5-(1,1-dimethyl-2-propenyl)-2,4-dihydroxy-3-(3-methyl-2-butenyl)phenyl)-5,7-dihydroxy-
  • fremontone
CAS Number(s)
  • 124166-28-5
InChIKey DKOOBSCWJFTXKX-UHFFFAOYSA-N
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