5-Hydroxy-8,8-Dimethyl-6-(3-Methylbutanoyl)-4-Phenyl-2H,8H-Pyrano[2,3-F]Chromen-2-One

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Properties Simple | Detailed

Formula C25H25O5+
IUPAC Name 5-hydroxy-8,8-dimethyl-6-(3-methylbutanoyl)-4-phenyl-pyrano[2,3-h]chromen-2-one
Molecular Mass 405.463 g·mol−1
Heat of Formation -677.0 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 484.87 Å 3
Surface Area 399.08 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 5-hydroxy-6-isovaleryl-8,8-dimethyl-4-phenyl-pyrano[6,5-h]chromen-2-one
  • 5-hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-phenyl-2-pyrano[6,5-h]chromenone
  • 5-hydroxy-8,8-dimethyl-6-(3-methyl-butyryl)-4-phenyl-8h-pyrano[2,3-f]chromen-2-one
  • 5-hydroxy-8,8-dimethyl-6-(3-methylbutanoyl)-4-phenyl-pyrano[6,5-h]chromen-2-one
  • 5-hydroxy-8,8-dimethyl-6-(3-methylbutanoyl)-4-phenylpyrano[6,5-h]chromen-2-one
  • mammeigin
InChIKey VSDJRZADBKXDHP-UHFFFAOYSA-N
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