(4S,4Ar,7Ar,8R,9Ar)-4-Hydroxy-3,4A,8-Trimethyl-4,4A,7A,8,9,9A-Hexahydroazuleno[6,5-B]Furan-2,5-Dione

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Properties Simple | Detailed

Formula C15H18O4
IUPAC Name (3ar,5r,5ar,8ar,9s)-9-hydroxy-1,5,8a-trimethyl-4,5,5a,9-tetrahydro-3ah-azuleno[6,7-b]furan-2,8-dione
Molecular Mass 262.301 g·mol−1
Heat of Formation -606.0 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 311.81 Å 3
Surface Area 260.07 Å 2
HOMO Energy -10.26 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,5r,5ar,8ar,9s)-9-hydroxy-1,5,8a-trimethyl-4,5,5a,9-tetrahydro-3ah-azuleno[7,6-d]furan-2,8-dione
  • (3ar,5r,5ar,8ar,9s)-9-hydroxy-1,5,8a-trimethyl-4,5,5a,9-tetrahydro-3ah-azuleno[7,6-d]furan-2,8-quinone
  • azuleno(6,5-b)furan-2,5-dione, 4,4a,7a,8,9,9a-hexahydro-4-hydroxy-3,4a,8-trimethyl-, (4s-(4alpha,4abeta,7aalpha,8alpha,9aalpha))-
  • isohelenalin
CAS Number(s)
  • 479-09-4
InChIKey MXDBSOSHFBRRIJ-JMLQNSIWSA-N
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