(2S)-6-[(2E)-3,7-Dimethyl-2,6-Octadien-1-Yl]-5,7-Dihydroxy-2-(4-Hydroxyphenyl)-2,3-Dihydro-4H-Chromen-4-One

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Properties Simple | Detailed

Formula C25H28O5
IUPAC Name (2s)-6-[(2e)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
Molecular Mass 408.487 g·mol−1
Heat of Formation -770.3 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 501.92 Å 3
Surface Area 390.64 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-6-[(2e)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-chromanone
  • (2s)-6-[(2e)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chroman-4-one
  • 4h-1-benzopyran-4-one, 6-(3,7-dimethyl-2,6-octadienyl)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, [s-(e)]-
  • 4h-1-benzopyran-4-one, 6-[(2e)-3,7-dimethyl-2,6-octadienyl]-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2s)-
  • 4h-1-benzopyran-4-one, 6-[(2e)-3,7-dimethyl-2,6-octadienyl]-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-, (2s)- (9ci)
  • 6-geranylnaringenin
  • bonannione a
  • mimulone
CAS Number(s)
  • 97126-57-3
InChIKey XYIQIBWIEGCVQY-RWHUQTJRSA-N
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