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

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Properties Simple | Detailed

Formula C26H28O7
IUPAC Name (2s)-5,7-dihydroxy-6-[(2e,5e)-7-hydroxy-3,7-dimethylocta-2,5-dienyl]-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
Molecular Mass 452.496 g·mol−1
Heat of Formation -1116.1 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 544.88 Å 3
Surface Area 473.61 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
InChIKey SHWLJHMWQFNVAC-DETBAYCCSA-N
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Elements H C O