2-Butyryl-4-(3-Butyryl-2,6-Dihydroxy-4-Methoxy-5-Methylbenzyl)-3,5-Dihydroxy-6,6-Dimethyl-2,4-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C25H28O8
IUPAC Name 2-butanoyl-4-[[(3z)-2,6-dihydroxy-3-(1-hydroxybut-3-enylidene)-5-methyl-4-(oxomethylene)cyclohexa-1,5-dien-1-yl]methyl]-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one
Molecular Mass 456.485 g·mol−1
Heat of Formation -856.1 ± 16.7 kJ·mol−1
Dipole Moment 6.41 ± 1.08 D
Volume 525.1 Å 3
Surface Area 439.93 Å 2
HOMO Energy -7.47 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-cyclohexadien-1-one, 2-((2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl)methyl)-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-
  • 2-butanoyl-4-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
  • 2-butyryl-4-(3-butyryl-2,6-dihydroxy-4-methoxy-5-methyl-benzyl)-3,5-dihydroxy-6,6-dimethyl-cyclohexa-2,4-dien-1-one
  • 2-butyryl-6-(3-butyryl-2,6-dihydroxy-4-methoxy-5-methylbenzyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
  • 4-[[2,6-dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-6,6-dimethyl-2-(1-oxobutyl)-1-cyclohexa-2,4-dienone
  • aspidin
  • aspidin bb
  • aspidin vv
CAS Number(s)
  • 584-28-1
InChIKey PLGZOIJJUOHZJA-UHFFFAOYSA-N
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