(5R,6R)-5-(3,5-Dihydroxyphenyl)-6-(4-Hydroxyphenyl)-3-[(E)-2-(4-Hydroxyphenyl)Vinyl]-2-Cyclohepten-1-One

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Formula C27H24O5
IUPAC Name (5r,6r)-5-(3,5-dihydroxyphenyl)-6-(4-hydroxyphenyl)-3-[(e)-2-(4-hydroxyphenyl)vinyl]cyclohept-2-en-1-one
Molecular Mass 428.476 g·mol−1
Heat of Formation -564.8 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 512.3 Å 3
Surface Area 411.35 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6r)-5-(3,5-dihydroxyphenyl)-6-(4-hydroxyphenyl)-3-[(e)-2-(4-hydroxyphenyl)ethenyl]cyclohept-2-en-1-one
  • (5r,6r)-5-(3,5-dihydroxyphenyl)-6-(4-hydroxyphenyl)-3-[(e)-2-(4-hydroxyphenyl)vinyl]-1-cyclohept-2-enone
  • (5r,6r)-5-(3,5-dihydroxyphenyl)-6-(4-hydroxyphenyl)-3-[(e)-2-(4-hydroxyphenyl)vinyl]cyclohept-2-en-1-one
InChIKey BSKGJESYXYEJPI-XYVLITODSA-N
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