(3S)-5,7-Dihydroxy-3-[4-Hydroxy-3-(3-Methyl-2-Buten-1-Yl)Phenyl]-6-(3-Methyl-2-Buten-1-Yl)-2,3-Dihydro-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C25H28O5
IUPAC Name (3s)-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chroman-4-one
Molecular Mass 408.487 g·mol−1
Heat of Formation -767.6 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 510.26 Å 3
Surface Area 400.12 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.30 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)-4-chromanone
  • (3s)-5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chroman-4-one
  • 4h-1-benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-3-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-6-(3-methyl-2-butenyl)-
  • 5,7,4'-trihydroxy-6,3'-di(gamma,gamma-dimethylallyl)isoflavanone
  • 5,7-dihydroxy-3-[4-hydroxy-3-(3-methyl-but-2-enyl)-phenyl]-6-(3-methyl-but-2-enyl)-chroman-4-one
  • 5,7-dihydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-4h-chromen-4-one
  • bolusanthol c
InChIKey CEBSROOTTDEPKN-LJQANCHMSA-N
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