Parthenicin

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Properties Simple | Detailed

Formula C15H18O4
IUPAC Name (3as,6s,6as,9as,9br)-6a-hydroxy-6,9a-dimethyl-3-methylene-4,5,6,9b-tetrahydro-3ah-azuleno[8,7-b]furan-2,9-dione
Molecular Mass 262.301 g·mol−1
Heat of Formation -556.2 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 308.96 Å 3
Surface Area 254.78 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,6s,6as,9as,9br)-6a-hydroxy-6,9a-dimethyl-3-methylene-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,9-dione
  • (3as,6s,6as,9as,9br)-6a-hydroxy-6,9a-dimethyl-3-methylene-4,5,6,9b-tetrahydro-3ah-azuleno[7,8-d]furan-2,9-dione
  • (3as,6s,6as,9as,9br)-6a-hydroxy-6,9a-dimethyl-3-methylene-4,5,6,9b-tetrahydro-3ah-azuleno[7,8-d]furan-2,9-quinone
  • (3as,6s,6as,9as,9br)-6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,9b-tetrahydro-3ah-azuleno[7,8-d]furan-2,9-dione
  • azuleno[4,5-b]furan-2,9-dione, 3,3a,4,5,6,6a,9a,9b-octahydro-6a-hydroxy-6,9a-dimethyl-3-methylene-, (3as,6s,6as,9as,9br)-
  • lmpr01030024
  • parthenin
InChIKey LLQCRTZROWMVOL-JISBIHODSA-N
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