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

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Formula C15H20O4
IUPAC Name (1s,3ar,5r,5ar,8ar,9s,9as)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1h-azuleno[6,7-b]furan-2,8-dione
Molecular Mass 264.317 g·mol−1
Heat of Formation -689.0 ± 16.7 kJ·mol−1
Dipole Moment 4.19 ± 1.08 D
Volume 314.44 Å 3
Surface Area 257.07 Å 2
HOMO Energy -10.26 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3ar,5r,5ar,8ar,9s,9as)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1h-azuleno[7,6-d]furan-2,8-dione
  • (1s,3ar,5r,5ar,8ar,9s,9as)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1h-azuleno[7,6-d]furan-2,8-quinone
  • plenolin
CAS Number(s)
  • 34257-95-9
InChIKey ICKWITMQEROMDG-ZIXXKTFOSA-N
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