(2S)-5,7-Dihydroxy-6,8-Bis(2-Hydroxybenzyl)-2-Phenyl-2,3-Dihydro-4H-Chromen-4-One

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Formula C29H24O6
IUPAC Name (2s)-5,7-dihydroxy-8-[(6-oxocyclohexen-1-yl)methyl]-6-[(2-oxocyclohexyl)methyl]-2-phenyl-chroman-4-one
Molecular Mass 468.497 g·mol−1
Heat of Formation -771.6 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 533.15 Å 3
Surface Area 424.27 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-5,7-dihydroxy-6,8-bis(2-hydroxybenzyl)-2-phenyl-chroman-4-one
  • (2s)-5,7-dihydroxy-6,8-bis[(2-hydroxyphenyl)methyl]-2-phenyl-4-chromanone
  • (2s)-5,7-dihydroxy-6,8-bis[(2-hydroxyphenyl)methyl]-2-phenyl-chroman-4-one
  • (2s)-5,7-dihydroxy-6,8-bis[(2-hydroxyphenyl)methyl]-2-phenylchroman-4-one
  • 4h-1-benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-6,8-bis((2-hydroxyphenyl)methyl)-2-phenyl-, (s)-
  • dichamanetin
CAS Number(s)
  • 58779-09-2
InChIKey WBZSDBHJYZORRP-VWLOTQADSA-N
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