4,4'-[(5-Butyryl-2,4,6-Trihydroxy-1,3-Phenylene)Bis(Methylene)]Bis(2-Butyryl-3,5-Dihydroxy-6,6-Dimethyl-2,4-Cyclohexadien-1-One)

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Properties Simple | Detailed

Formula C36H44O12
IUPAC Name 2-butanoyl-4-[[3-butanoyl-5-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxo-cyclohexa-1,5-dien-1-yl)methyl]-2,4,6-trihydroxy-phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one
Molecular Mass 668.727 g·mol−1
Heat of Formation -2298.7 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 787.09 Å 3
Surface Area 566.2 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2'-((2,4,6-trihydroxy-5-(1-oxobutyl)-1,3-phenylene)bis(methylene))bis(3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)cyclohexa-2,5-dien-1-one
  • 2,5-cyclohexadien-1-one, 2,2'-((2,4,6-trihydroxy-5-(1-oxobutyl)-1,3-phenylene)bis(methylene))bis(3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-
  • 2-butanoyl-4-[[3-butanoyl-5-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxo-1-cyclohexa-1,5-dienyl)methyl]-2,4,6-trihydroxy-phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one
  • 2-butanoyl-4-[[3-butanoyl-5-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxo-1-cyclohexa-1,5-dienyl)methyl]-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
  • 2-butyryl-4-[3-butyryl-5-[(5-butyryl-2,6-dihydroxy-4-keto-3,3-dimethyl-1-cyclohexa-1,5-dienyl)methyl]-2,4,6-trihydroxy-benzyl]-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one
  • 4-[[3-[[2,6-dihydroxy-3,3-dimethyl-4-oxo-5-(1-oxobutyl)-1-cyclohexa-1,5-dienyl]methyl]-2,4,6-trihydroxy-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(1-oxobutyl)-1-cyclohexa-2,4-dienone
  • butyrophenone, 3',5'-bis((5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-2',4',6'-trihydroxy-
  • filicin
  • filixic acid
  • filixic acid bbb
  • phlorobutyrophenone, 3',5'-bis(5-butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl)-
CAS Number(s)
  • 11041-32-0
  • 4482-83-1
  • 1391-56-6
InChIKey FRTCWDLFHSMTNW-UHFFFAOYSA-N
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