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

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Properties Simple | Detailed

Formula C25H32O8
IUPAC Name 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-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one
Molecular Mass 460.517 g·mol−1
Heat of Formation -1541.8 ± 16.7 kJ·mol−1
Dipole Moment 7.68 ± 1.08 D
Volume 543.35 Å 3
Surface Area 427.82 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 1.82 ± 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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