Iso-Angustone A

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Formula C25H27O6+
IUPAC Name 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
Molecular Mass 423.478 g·mol−1
Heat of Formation -878.2 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 498.15 Å 3
Surface Area 438.15 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-chromenone
  • 3-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromone
InChIKey QNLGNISMYMFVHP-UHFFFAOYSA-N
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