5-Methoxy-2,2-Dimethyl-6-[(2E)-2-Methyl-2-Butenoyl]-10-Phenyl-2H,8H-Pyrano[2,3-F]Chromen-8-One

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Properties Simple | Detailed

Formula C26H24O5
IUPAC Name 5-methoxy-2,2-dimethyl-6-[(e)-2-methylbut-2-enoyl]-10-phenyl-pyrano[2,3-f]chromen-8-one
Molecular Mass 416.466 g·mol−1
Heat of Formation -563.1 ± 16.7 kJ·mol−1
Dipole Moment 6.67 ± 1.08 D
Volume 496.4 Å 3
Surface Area 392.87 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
Synonyms
  • 2h,8h-benzo(1,2-b,3,4-b')dipyran-8-one, 5-methoxy-2,2-dimethyl-6-(2-methylcrotonoyl)-10-phenyl-, (e)-
  • 5-methoxy-2,2-dimethyl-6-(2-methyl-1-oxo-2-butenyl)-10-phenyl-2h,8h-benzo(1,2-b':3,4-b')-dipyran-8-one
  • 5-methoxy-2,2-dimethyl-6-(2-methyl-1-oxobut-2-enyl)-10-phenyl-8-pyrano[6,5-f]chromenone
  • 5-methoxy-2,2-dimethyl-6-(2-methylbut-2-enoyl)-10-phenyl-pyrano[6,5-f]chromen-8-one
  • 5-methoxy-2,2-dimethyl-6-(2-methylbut-2-enoyl)-10-phenylpyrano[6,5-f]chromen-8-one
  • 5-methoxy-2,2-dimethyl-6-[(e)-2-methyl-1-oxobut-2-enyl]-10-phenyl-8-pyrano[6,5-f]chromenone
  • 5-methoxy-2,2-dimethyl-6-[(e)-2-methylbut-2-enoyl]-10-phenyl-pyrano[6,5-f]chromen-8-one
  • 5-methoxy-2,2-dimethyl-6-[(e)-2-methylbut-2-enoyl]-10-phenylpyrano[6,5-f]chromen-8-one
  • calophyllolid
  • calophyllolide
CAS Number(s)
  • 548-27-6
InChIKey PMBLOLOJQZPEND-GIDUJCDVSA-N
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