(2S)-2-{2-[(2E)-3,7-Dimethyl-2,6-Octadien-1-Yl]-3,4-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 C28H14O6
IUPAC Name (2s)-2-[2-[(2e)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)chroman-4-one
Molecular Mass 446.407 g·mol−1
Heat of Formation 2264.0 ± 16.7 kJ·mol−1
Dipole Moment 7.34 ± 1.08 D
Volume 462.24 Å 3
Surface Area 378.4 Å 2
HOMO Energy -8.08 ± 0.55 eV
LUMO Energy -3.62 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[2-[(2e)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxy-phenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)chroman-4-one
  • (2s)-2-[2-[(2e)-3,7-dimethylocta-2,6-dienyl]-3,4-dihydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-chromanone
InChIKey SZHDIKOQLFZADP-XBPZWBIKSA-N
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