(2S)-2-(3,4-Dihydroxyphenyl)-6-(3,7-Dimethylocta-2,6-Dien-1-Yl)-5,7-Dihydroxy-2,3-Dihydro-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C25H28O6
IUPAC Name (2s)-2-(3,4-dihydroxyphenyl)-6-[(2e)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-chroman-4-one
Molecular Mass 424.486 g·mol−1
Heat of Formation -975.1 ± 16.7 kJ·mol−1
Dipole Moment 3.79 ± 1.08 D
Volume 514.05 Å 3
Surface Area 422.64 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(3,4-dihydroxyphenyl)-6-[(2e)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-4-chromanone
  • (2s)-2-(3,4-dihydroxyphenyl)-6-[(2e)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-chroman-4-one
  • (2s)-2-(3,4-dihydroxyphenyl)-6-[(2e)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxychroman-4-one
  • 2-(3,4-dihydroxyphenyl)-6-(3,7-dimethylocta-2,6-dien-1-yl)-5,7-dihydroxy-2,3-dihydro-4h-chromen-4-one
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-6-(3,7-dimethyl-2,6-octadienyl)-2,3-dihydro-5,7-dihydroxy-, (2s)-
InChIKey XCYSQFHYFNWYFP-CEMXSPGASA-N
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