Helenalin

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Properties Simple | Detailed

Formula C15H18O4
IUPAC Name (3ar,5r,5ar,8ar,9s,9as)-9-hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[6,7-b]furan-2,8-dione
Molecular Mass 262.301 g·mol−1
Heat of Formation -575.1 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 311.34 Å 3
Surface Area 256.93 Å 2
HOMO Energy -10.26 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,5r,5ar,8ar,9s,9as)-9-hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[7,6-d]furan-2,8-dione
  • (3ar,5r,5ar,8ar,9s,9as)-9-hydroxy-5,8a-dimethyl-1-methylene-3a,4,5,5a,9,9a-hexahydroazuleno[7,6-d]furan-2,8-quinone
  • (3ar,5r,5ar,8ar,9s,9as)-9-hydroxy-5,8a-dimethyl-1-methylidene-3a,4,5,5a,9,9a-hexahydroazuleno[7,6-d]furan-2,8-dione
  • (3as)-3,3aalpha,4alpha,4a,7aalpha,8,9,9aalpha-octahydro-4-hydroxy-4abeta,8 alpha-dimethyl-3-methyleneazuleno(6,5-b)-furan-2,5-dione
  • 4-hydroxy-4a,8-dimethyl-3-methylene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione
  • 6alpha,8beta-dihydroxy-4-oxoambrosa-2,11(13)-dien-12-oic acid 12,8-lactone
  • ambrosa-2,11(13)-dien-12-oic acid, 6-alpha,8-beta-dihydroxy-4-oxo-, 12,8-lactone
  • ambrosa-2,11(13)-dien-12-oic acid, 6.alpha., 8.beta.-dihydroxy-4-oxo-, 12,8-lactone
  • ambrosa-2,11(13)-dien-12-oic acid, 6.alpha.,8.beta.-dihydroxy-4-oxo-, 12,8-lactone
  • ambrosa-2,11(13)-dien-12-oic acid, 6alpha,8beta-dihydroxy-4-oxo-, 12,8-lactone
  • ambrosa-2,11(13)-dien-12-oic acid, 6alpha,8beta-dihydroxy-4-oxo-, 12,8-lactone (8ci)
  • azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, (3as-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9aalpha))-
  • azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, (3as-(3aalpha,4alpha,4abeta,7aalpha,8alpha,9aalpha))- (9ci)
  • azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, [3as-(3a.alpha.,4.alpha.,4a.beta.,7a.alpha.,8.alpha.,9a.alpha.)]-
  • pf 56
  • {azuleno[6,} 5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a, 8-dimethyl-3-methylene-, {[3as-(3a.alpha.,4.alpha.,4a.beta.,} 7a.alpha.,8.alpha.,9a.alpha.)]-
CAS Number(s)
  • 6754-13-8
InChIKey ZVLOPMNVFLSSAA-XEPQRQSNSA-N
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