(4As,8Ar)-3,8A-Dimethyl-5-Methylene-4,4A,5,6,7,8,8A,9-Octahydronaphtho[2,3-B]Furan

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Formula C15H20O
IUPAC Name (4as,8ar)-3,8a-dimethyl-5-methylene-4,4a,6,7,8,9-hexahydrobenzo[f]benzofuran
Molecular Mass 216.319 g·mol−1
Heat of Formation -122.3 ± 16.7 kJ·mol−1
Dipole Moment 1.04 ± 1.08 D
Volume 284.82 Å 3
Surface Area 247.57 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,8ar)-3,8a-dimethyl-5-methylene-4,4a,6,7,8,9-hexahydrobenzo[f]benzofuran
  • (4as,8ar)-3,8a-dimethyl-5-methylidene-4,4a,6,7,8,9-hexahydrobenzo[f][1]benzoxole
  • atractylon
  • naphtho(2,3-b)furan, 4,4a,5,6,7,8,8a,9-octahydro-3,8a-dimethyl-5-methylene-, (4as-trans)-
CAS Number(s)
  • 6989-21-5
  • 98309-94-5
InChIKey TYPSVDGIQAOBAD-DZGCQCFKSA-N
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