(3Ar)-9-(1,3-Benzodioxol-5-Yl)-6,7-Dimethoxy-3A,4-Dihydronaphtho[2,3-C]Furan-1(3H)-One

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Properties Simple | Detailed

Formula C21H18O6
IUPAC Name (9ar)-4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9,9a-dihydro-1h-benzo[f]isobenzofuran-3-one
Molecular Mass 366.364 g·mol−1
Heat of Formation -655.8 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 404.85 Å 3
Surface Area 348.41 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (9ar)-4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9,9a-dihydro-1h-benzo[f][2]benzoxol-3-one
  • (9ar)-4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-9,9a-dihydro-1h-benzo[f]isobenzofuran-3-one
  • 9-(1,3-benzodioxol-5-yl)-3a,4-dihydro-6,7-dimethoxynaphtho(2,3-c)furan-1(3h)-one
  • collinusin
CAS Number(s)
  • 17990-72-6
InChIKey TYNZRPOBMSNIAX-ZDUSSCGKSA-N
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