Brasimarin A

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Properties Simple | Detailed

Formula C24H22O5
IUPAC Name 6-benzoyl-5-hydroxy-2,2-dimethyl-10-propyl-pyrano[2,3-f]chromen-8-one
Molecular Mass 390.428 g·mol−1
Heat of Formation -688.8 ± 16.7 kJ·mol−1
Dipole Moment 6.03 ± 1.08 D
Volume 457.33 Å 3
Surface Area 371.32 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-pyridinone, 4-hydroxy-5-(4-hydroxyphenyl)-3-[(2e,4e,6e,8r,10r)-6,8,10-trimethyl-1-oxo-2,4,6-dodecatrienyl]-
  • 5-hydroxy-2,2-dimethyl-6-(oxo-phenylmethyl)-10-propyl-8-pyrano[6,5-f]chromenone
  • 5-hydroxy-2,2-dimethyl-6-phenylcarbonyl-10-propyl-pyrano[6,5-f]chromen-8-one
  • 6-(benzoyl)-5-hydroxy-2,2-dimethyl-10-propyl-pyrano[6,5-f]chromen-8-one
  • 6-(benzoyl)-5-hydroxy-2,2-dimethyl-10-propylpyrano[6,5-f]chromen-8-one
  • 6-benzoyl-5-hydroxy-2,2-dimethyl-10-propyl-2h,8h-pyrano[2,3-f]chromen-8-one
  • 6-benzoyl-5-hydroxy-2,2-dimethyl-10-propyl-2h-pyrano[2,3-f]chromen-8-one
InChIKey QWYOEBGEICIGCR-UHFFFAOYSA-N
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