(3As,5Ar,9Ar,9Bs)-5A,9-Dimethyl-3-Methylene-3A,4,5,5A,6,7,9A,9B-Octahydronaphtho[1,2-B]Furan-2(3H)-One

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Properties Simple | Detailed

Formula C15H20O2
IUPAC Name (3as,5ar,9ar,9bs)-5a,9-dimethyl-3-methylene-4,5,6,7,9a,9b-hexahydro-3ah-benzo[g]benzofuran-2-one
Molecular Mass 232.318 g·mol−1
Heat of Formation -311.6 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 295.51 Å 3
Surface Area 253.36 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,5ar,9ar,9bs)-5a,9-dimethyl-3-methylene-4,5,6,7,9a,9b-hexahydro-3ah-benzo[g]benzofuran-2-one
  • (3as,5ar,9ar,9bs)-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3ah-naphtho[3,4-d]furan-2-one
  • alpha-cyclocostunolide
  • cyclocostunolide
  • naphtho(1,2-b)furan-2(3h)-one, 3a,4,5,5a,6,7,9a,9b-octahydro-5a,9-dimethyl-3-methylene-, (3as-(3aalpha,5abeta,9aalpha,9bbeta))-
  • naphtho[1,2-b]furan-2(3h)-one, 3a,4,5,5a,6,7,9a,9b-octahydro-5a,9-dimethyl-3-methylene-, (3as,5ar,9ar,9bs)-
CAS Number(s)
  • 2221-81-0
InChIKey UHODXTMZSDNATP-SFDCQRBFSA-N
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