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Formula C21H24O6
IUPAC Name (2s,3r,3ar,7s,7as)-7-allyl-2-(1,3-benzodioxol-5-yl)-3a,4-dimethoxy-3-methyl-2,3,7,7a-tetrahydrobenzofuran-6-one
Molecular Mass 372.412 g·mol−1
Heat of Formation -739.3 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 441.25 Å 3
Surface Area 363.01 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,3ar,7s,7as)-2-(1,3-benzodioxol-5-yl)-3a,4-dimethoxy-3-methyl-7-prop-2-enyl-2,3,7,7a-tetrahydro-1-benzofuran-6-one
  • (2s,3r,3ar,7s,7as)-7-allyl-2-(1,3-benzodioxol-5-yl)-3a,4-dimethoxy-3-methyl-2,3,7,7a-tetrahydrobenzofuran-6-one
CAS Number(s)
  • 116424-69-2
InChIKey COELSLLVNMRXHB-KYIFXELVSA-N
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