Iso-Gemichalcone C

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Properties Simple | Detailed

Formula C30H28O9
IUPAC Name [(e)-4-[2,6-dihydroxy-3-[(e)-3-[5-oxo-4-(oxomethylene)cyclopenten-1-yl]prop-2-enoyl]phenyl]-2-methyl-but-2-enyl] (3z)-3-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)propanoate
Molecular Mass 532.538 g·mol−1
Heat of Formation -1217.6 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 615.85 Å 3
Surface Area 552.08 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-(4-hydroxy-3-methoxy-phenyl)acrylic acid [(e)-4-[3-[(e)-3-(2,4-dihydroxyphenyl)acryloyl]-2,6-dihydroxy-phenyl]-2-methyl-but-2-enyl] ester
  • (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid [(e)-4-[3-[(e)-3-(2,4-dihydroxyphenyl)-1-oxoprop-2-enyl]-2,6-dihydroxyphenyl]-2-methylbut-2-enyl] ester
  • [(e)-4-[3-[(e)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxy-phenyl]-2-methyl-but-2-enyl] (e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
  • [(e)-4-[3-[(e)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl]-2-methylbut-2-enyl] (e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
InChIKey OFKHJNZDWNKYOY-MNYVGDBSSA-N
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