(3S,3As,6Ar,7Ar,8As,8Bs,8Cs)-3,8A-Dimethyl-6-Methylenedecahydrooxireno[2,3]Azuleno[4,5-B]Furan-2(3H)-One

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Properties Simple | Detailed

Formula C15H20O3
IUPAC Name (3s,3as,6ar,7ar,8as,8bs,8cs)-3,8a-dimethyl-6-methylenedecahydrooxireno[2,3]azuleno[4,5-b]furan-2(3h)-one
Molecular Mass 248.317 g·mol−1
Heat of Formation -434.3 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 305.85 Å 3
Surface Area 258.47 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy 0.70 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-11betah,13-dihydroestafiatin
  • (+)-3alpha,4alpha-epoxy-1,5,7alphah,6,11betah-guai-1(14)-en-6,12-olide
  • 3,8a-dimethyl-6-methylene-decahydro-1,8-dioxa-cyclopenta[h]cyclopropa[a]azulen-2-one
  • oxireno[2,3]azuleno[4,5-b]furan-2(3h)-one, decahydro-3,8a-dimethyl-6-methylene-, (3as,6ar,7ar,8as,8bs,8cs)-
  • rel-(3r,3ar,6as,7as,8ar,8br,8cr)-3,8a-dimethyl-6-methylenedecahydrooxireno[2,3]azuleno[4,5-b]furan-2(3h)-one
CAS Number(s)
  • 75956-97-7
InChIKey BJRMCDRHKBUSDR-YWDFAVMRSA-N
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