[(1S,2R,6R)-2-[2,6-Dihydroxy-4-(6-Hydroxy-1-Benzofuran-2-Yl)Phenyl]-6-(2,4-Dihydroxyphenyl)-4-Methyl-3-Cyclohexen-1-Yl](2,4-Dihydroxyphenyl)Methanone

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Properties Simple | Detailed

Formula C34H28O9
IUPAC Name [(1s,2r,6r)-2-[2,6-dihydroxy-4-(6-hydroxybenzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-cyclohex-3-en-1-yl]-(2,4-dihydroxyphenyl)methanone
Molecular Mass 580.581 g·mol−1
Heat of Formation -1179.4 ± 16.7 kJ·mol−1
Dipole Moment 1.30 ± 1.08 D
Volume 644.95 Å 3
Surface Area 483.07 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s,2r,6r)-2-[2,6-dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-1-cyclohex-3-enyl]-(2,4-dihydroxyphenyl)methanone
  • [(1s,2r,6r)-2-[2,6-dihydroxy-4-(6-hydroxy-2-benzofuranyl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-1-cyclohex-3-enyl]-(2,4-dihydroxyphenyl)methanone
  • [(1s,2r,6r)-2-[2,6-dihydroxy-4-(6-hydroxybenzofuran-2-yl)phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-1-cyclohex-3-enyl]-(2,4-dihydroxyphenyl)methanone
  • methanone, ((1s,2r,6r)-2-(2,6-dihydroxy-4-(6-hydroxy-2-benzofuranyl)phenyl)-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl)(2,4-dihydroxyphenyl)-
  • mulberrofuran c
CAS Number(s)
  • 77996-04-4
InChIKey WTGKDESIYCVAOP-UNTHUGQZSA-N
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