(1R,5R,6R,7R)-3-Allyl-7-(4-Hydroxy-3-Methoxyphenyl)-5-Methoxy-6-Methylbicyclo[3.2.1]Oct-3-Ene-2,8-Dione

Molecule SVG Image

Properties Simple | Detailed

Formula C20H22O5
IUPAC Name (1r,5r,6r,7r)-3-allyl-7-(4-hydroxy-3-methoxy-phenyl)-5-methoxy-6-methyl-bicyclo[3.2.1]oct-3-ene-2,8-dione
Molecular Mass 342.386 g·mol−1
Heat of Formation -600.2 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 413.37 Å 3
Surface Area 346.72 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,5r,6r,7r)-3-allyl-6-(4-hydroxy-3-methoxy-phenyl)-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-ene-4,8-dione
  • (1r,5r,6r,7r)-3-allyl-6-(4-hydroxy-3-methoxy-phenyl)-1-methoxy-7-methyl-bicyclo[3.2.1]oct-2-ene-4,8-quinone
  • (1r,5r,6r,7r)-3-allyl-6-(4-hydroxy-3-methoxyphenyl)-1-methoxy-7-methylbicyclo[3.2.1]oct-2-ene-4,8-dione
  • (1r,5r,6r,7r)-6-(4-hydroxy-3-methoxy-phenyl)-1-methoxy-7-methyl-3-prop-2-enyl-bicyclo[3.2.1]oct-2-ene-4,8-dione
  • (1r,5r,6r,7r)-6-(4-hydroxy-3-methoxyphenyl)-1-methoxy-7-methyl-3-prop-2-enylbicyclo[3.2.1]oct-2-ene-4,8-dione
  • bicyclo(3.2.1)oct-3-ene-2,8-dione, 7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-6-methyl-3-(2-propenyl)-, (1r-(6-endo,7-exo))-
  • delta(8')-3,5'-dimethoxy-4-hydroxy-2',3',4',5'-tetrahydro-2',4'-dioxo-7.3',8.5'-neolignan
CAS Number(s)
  • 149560-83-8
InChIKey QPJPDAWUDLZIDJ-MGMUYRNOSA-N
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