(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 C30H36O6
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 492.603 g·mol−1
Heat of Formation -1050.9 ± 16.7 kJ·mol−1
Dipole Moment 1.41 ± 1.08 D
Volume 603.92 Å 3
Surface Area 438.33 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.54 ± 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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