Atrovirinone

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Properties Simple | Detailed

Formula C25H28O8
IUPAC Name methyl 2,4-dihydroxy-6-[2-methoxy-4,5-bis(3-methylbut-2-enyl)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]oxy-benzoate
Molecular Mass 456.485 g·mol−1
Heat of Formation -1160.6 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 545.22 Å 3
Surface Area 434.86 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-dihydroxy-6-[[2-methoxy-4,5-bis(3-methylbut-2-enyl)-3,6-dioxo-1-cyclohexa-1,4-dienyl]oxy]benzoic acid methyl ester
  • 2-[[3,6-diketo-2-methoxy-4,5-bis(3-methylbut-2-enyl)-1-cyclohexa-1,4-dienyl]oxy]-4,6-dihydroxy-benzoic acid methyl ester
InChIKey AATISISCRVORPT-UHFFFAOYSA-N
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