(2S)-2-{3-[(2E)-3,7-Dimethyl-2,6-Octadien-1-Yl]-4,5-Dihydroxyphenyl}-5,7-Dihydroxy-6-(3-Methyl-2-Buten-1-Yl)-2,3-Dihydro-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C28H18O6
IUPAC Name (2z)-2-[2-[(2-but-2-ynylcyclopropylidene)methylene]-3,4-dioxo-6-bicyclo[3.1.0]hex-1(5)-enylidene]-6-[(2-methylenecyclopropylidene)methylene]-8,8a-dihydro-4ah-chromene-4,5,7-trione
Molecular Mass 450.439 g·mol−1
Heat of Formation -1015.0 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 610.32 Å 3
Surface Area 531.65 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[3-[(2e)-3,7-dimethylocta-2,6-dienyl]-4,5-dihydroxy-phenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)chroman-4-one
  • (2s)-2-[3-[(2e)-3,7-dimethylocta-2,6-dienyl]-4,5-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-chromanone
  • (2s)-2-[3-[(2e)-3,7-dimethylocta-2,6-dienyl]-4,5-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)chroman-4-one
InChIKey LFIGQOMCYZOIQK-XBPZWBIKSA-N
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