Chalcomoracin

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Properties Simple | Detailed

Formula C39H36O9
IUPAC Name [(1r,2s,6s)-2-[2,6-dihydroxy-4-(6-hydroxybenzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-cyclohex-3-en-1-yl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone
Molecular Mass 648.698 g·mol−1
Heat of Formation -1236.1 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 744.07 Å 3
Surface Area 534.36 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r,2s,6s)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-1-cyclohex-3-enyl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone
  • [(1r,2s,6s)-2-[2,6-dihydroxy-4-(6-hydroxy-2-benzofuranyl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-1-cyclohex-3-enyl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone
  • [(1r,2s,6s)-2-[2,6-dihydroxy-4-(6-hydroxybenzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-1-cyclohex-3-enyl]-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]methanone
InChIKey SEHVRKPXIDOTRX-QQDDVHTNSA-N
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