4,4'-Methylenebis(3,5-Dihydroxy-2-Isobutyryl-6,6-Dimethyl-2,4-Cyclohexadien-1-One)

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Properties Simple | Detailed

Formula C25H30O8
IUPAC Name 2-(cyclopropanecarbonyl)-4-[[2,6-dihydroxy-3,3-dimethyl-5-(2-methylpropanoyl)-4-oxo-cyclohexa-1,5-dien-1-yl]methyl]-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one
Molecular Mass 458.501 g·mol−1
Heat of Formation -549.4 ± 16.7 kJ·mol−1
Dipole Moment 8.48 ± 1.08 D
Volume 532.47 Å 3
Surface Area 419.5 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2,6-dihydroxy-5-isobutyryl-4-keto-3,3-dimethyl-1-cyclohexa-1,5-dienyl)methyl]-3,5-dihydroxy-2-isobutyryl-6,6-dimethyl-cyclohexa-2,4-dien-1-one
  • 4-[[2,6-dihydroxy-3,3-dimethyl-5-(2-methyl-1-oxopropyl)-4-oxo-1-cyclohexa-1,5-dienyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methyl-1-oxopropyl)-1-cyclohexa-2,4-dienone
  • 4-[[2,6-dihydroxy-3,3-dimethyl-5-(2-methylpropanoyl)-4-oxo-1-cyclohexa-1,5-dienyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
  • japonicin a
InChIKey HOKPFFGRILZRLX-UHFFFAOYSA-N
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