(3Ar,4S,9As,9Br)-4-Hydroxy-6,9-Dimethyl-3-Methylene-3,3A,4,5,9A,9B-Hexahydroazuleno[4,5-B]Furan-2,7-Dione

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Properties Simple | Detailed

Formula C15H16O4
IUPAC Name (3ar,4s,9as,9br)-4-hydroxy-6,9-dimethyl-3-methylene-4,5,9a,9b-tetrahydro-3ah-azuleno[4,5-b]furan-2,7-dione
Molecular Mass 260.285 g·mol−1
Heat of Formation -541.1 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 305.68 Å 3
Surface Area 264.12 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,4s,9as,9br)-4-hydroxy-6,9-dimethyl-3-methylene-4,5,9a,9b-tetrahydro-3ah-azuleno[5,4-d]furan-2,7-dione
  • (3ar,4s,9as,9br)-4-hydroxy-6,9-dimethyl-3-methylene-4,5,9a,9b-tetrahydro-3ah-azuleno[5,4-d]furan-2,7-quinone
  • (3ar,4s,9as,9br)-4-hydroxy-6,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3ah-azuleno[5,4-d]furan-2,7-dione
  • 11,13-dehydrodesacetylmatricarin
  • 14-deoxylactucin
  • azuleno(4,5-b)furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-4-hydroxy-6,9-dimethyl-3-methylene-, (3ar-(3aalpha,4alpha,9aalpha,9bbeta))-
CAS Number(s)
  • 74635-52-2
InChIKey LLUKLZVIROBDGI-SCUASFONSA-N
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