Mokkolactone

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Properties Simple | Detailed

Formula C15H20O2
IUPAC Name (3s,3as,6ar,9ar,9bs)-3-methyl-6,9-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydro-3h-azuleno[4,5-b]furan-2-one
Molecular Mass 232.318 g·mol−1
Heat of Formation -332.6 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 296.73 Å 3
Surface Area 254.21 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,3as,6ar,9ar,9bs)-3-methyl-6,9-dimethylene-3a,4,5,6a,7,8,9a,9b-octahydro-3h-azuleno[5,4-d]furan-2-one
  • (3s,3as,6ar,9ar,9bs)-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3h-azuleno[5,4-d]furan-2-one
  • azuleno(4,5-b)furan-2(3h)-one, decahydro-3-methyl-6,9-bis(methylene)-, (3s,3as,6ar,9ar,9bs)-
CAS Number(s)
  • 4955-03-7
InChIKey UJADCNYXDHHISU-PEDHHIEDSA-N
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