(3As,9R,9As,9Bs)-9-Hydroxy-6,9-Dimethyl-3-Methylene-3A,4,5,7,8,9,9A,9B-Octahydroazuleno[4,5-B]Furan-2(3H)-One

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Formula C15H20O3
IUPAC Name (3as,9r,9as,9bs)-9-hydroxy-6,9-dimethyl-3-methylene-4,5,7,8,9a,9b-hexahydro-3ah-azuleno[4,5-b]furan-2-one
Molecular Mass 248.317 g·mol−1
Heat of Formation -522.8 ± 16.7 kJ·mol−1
Dipole Moment 6.32 ± 1.08 D
Volume 310.31 Å 3
Surface Area 264.85 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,9r,9as,9bs)-9-hydroxy-6,9-dimethyl-3-methylene-4,5,7,8,9a,9b-hexahydro-3ah-azuleno[5,4-d]furan-2-one
  • (3as,9r,9as,9bs)-9-hydroxy-6,9-dimethyl-3-methylidene-4,5,7,8,9a,9b-hexahydro-3ah-azuleno[5,4-d]furan-2-one
  • mecheliolide
  • micheliolide
CAS Number(s)
  • 68370-47-8
InChIKey RDJAFOWISVMOJY-PWNZVWSESA-N
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