(2S)-2-{3-[(2E)-3,7-Dimethyl-2,6-Octadien-1-Yl]-4-Hydroxyphenyl}-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 C30H36O5
IUPAC Name (2s)-2-[3-[(2e)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-phenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)chroman-4-one
Molecular Mass 476.604 g·mol−1
Heat of Formation -837.7 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 599.65 Å 3
Surface Area 523.14 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.57 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[3-[(2e)-3,7-dimethylocta-2,6-dienyl]-4-hydroxy-phenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)chroman-4-one
  • (2s)-2-[3-[(2e)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)-4-chromanone
  • (2s)-2-[3-[(2e)-3,7-dimethylocta-2,6-dienyl]-4-hydroxyphenyl]-5,7-dihydroxy-6-(3-methylbut-2-enyl)chroman-4-one
InChIKey NALIGSFHPZUJQO-KIAIXJHNSA-N
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