Tcmdc-124149

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Formula C25H25O6+
IUPAC Name 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
Molecular Mass 421.462 g·mol−1
Heat of Formation -878.8 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 478.89 Å 3
Surface Area 407.83 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)-4-pyrano[6,5-h]chromenone
  • 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[6,5-h]chromen-4-one
  • 4h,8h-benzo(1,2-b:3,4-b')dipyran-4-one, 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-
  • acon1_001205
  • megxp0_001039
  • morusin
CAS Number(s)
  • 62596-29-6
InChIKey XFFOMNJIDRDDLQ-UHFFFAOYSA-N
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