Lactucin

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Properties Simple | Detailed

Formula C15H16O5
IUPAC Name (3ar,4r,9as,9br)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-4,5,9a,9b-tetrahydro-3ah-azuleno[4,5-b]furan-2,7-dione
Molecular Mass 276.285 g·mol−1
Heat of Formation -679.6 ± 16.7 kJ·mol−1
Dipole Moment 5.18 ± 1.08 D
Volume 316.99 Å 3
Surface Area 271.88 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,4r,9as,9br)-4-hydroxy-6-methyl-3-methylene-9-methylol-4,5,9a,9b-tetrahydro-3ah-azuleno[5,4-d]furan-2,7-quinone
  • (3ar,4r,9as,9br)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-4,5,9a,9b-tetrahydro-3ah-azuleno[5,4-d]furan-2,7-dione
  • (3ar,4r,9as,9br)-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylidene-4,5,9a,9b-tetrahydro-3ah-azuleno[5,4-d]furan-2,7-dione
  • azuleno(4,5-b)furan-2,7-dione, 3,3a,4,5,9a,9b-hexahydro-4-hydroxy-9-(hydroxymethyl)-6-methyl-3-methylene-, (3ar-(3aalpha,4beta,9aalpha,9bbeta))-
InChIKey VJQAFLAZRVKAKM-QQUHWDOBSA-N
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