6-[(2E)-2-Buten-2-Yl]-4-({6-[(2E)-2-Buten-2-Yl]-2,4-Dihydroxy-3-Methylbenzoyl}Oxy)-2-Hydroxy-3-Methylbenzoic Acid

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Properties Simple | Detailed

Formula C24H26O7
IUPAC Name 4-[2,4-dihydroxy-3-methyl-6-[(e)-1-methylprop-1-enyl]benzoyl]oxy-2-hydroxy-3-methyl-6-[(e)-1-methylprop-1-enyl]benzoic acid
Molecular Mass 426.459 g·mol−1
Heat of Formation -1167.9 ± 16.7 kJ·mol−1
Dipole Moment 1.01 ± 1.08 D
Volume 514.38 Å 3
Surface Area 422.79 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 4-({2,4-dihydroxy-3-methyl-6-[(1e)-1-methylprop-1-en-1-yl]benzoyl}oxy)-2-hydroxy-3-methyl-6-[(1e)-1-methylprop-1-en-1-yl]benzoic acid
  • 4-[2,4-dihydroxy-3-methyl-6-[(e)-1-methylprop-1-enyl]benzoyl]oxy-2-hydroxy-3-methyl-6-[(e)-1-methylprop-1-enyl]benzoic acid
  • 4-[[2,4-dihydroxy-3-methyl-6-[(e)-1-methylprop-1-enyl]phenyl]-oxomethoxy]-2-hydroxy-3-methyl-6-[(e)-1-methylprop-1-enyl]benzoic acid
  • 6-[(e)-but-2-en-2-yl]-4-[6-[(e)-but-2-en-2-yl]-2,4-dihydroxy-3-methyl-phenyl]carbonyloxy-2-hydroxy-3-methyl-benzoic acid
  • 6-[(e)-but-2-en-2-yl]-4-[6-[(e)-but-2-en-2-yl]-2,4-dihydroxy-3-methylbenzoyl]oxy-2-hydroxy-3-methylbenzoic acid
  • agonodepside b
  • benzoic acid, 4-[[2,4-dihydroxy-3-methyl-6-[(1e)-1-methyl-1-propenyl]benzoyl]oxy]-2-hydroxy-3-methyl-6-[(1e)-1-methyl-1-propenyl]-
InChIKey LFTHRDXERPBJOF-MKICQXMISA-N
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