(2E)-1-{2,4-Dihydroxy-3-[(3R)-3-Hydroxy-3,7-Dimethyl-6-Octen-1-Yl]Phenyl}-3-(4-Hydroxyphenyl)-2-Propen-1-One

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Properties Simple | Detailed

Formula C25H30O5
IUPAC Name (e)-1-[2,4-dihydroxy-3-[(3r)-3-hydroxy-3,7-dimethyl-oct-6-enyl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Molecular Mass 410.503 g·mol−1
Heat of Formation -786.4 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 517.28 Å 3
Surface Area 448.54 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-1-[2,4-dihydroxy-3-[(3r)-3-hydroxy-3,7-dimethyl-oct-6-enyl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • (e)-1-[2,4-dihydroxy-3-[(3r)-3-hydroxy-3,7-dimethyloct-6-enyl]phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
  • 4,2',4'-trihydroxy-3'-(3-hydroxy-3,7-dimethyl-6-octenyl)chalcone
  • xanthoangelol j
InChIKey BQRLJINJRBLFJV-CUVMYHFPSA-N
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