(3R,3As,4R,4Ar,7As,8R,9As)-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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Properties Simple | Detailed

Formula C15H20O4
IUPAC Name (1r,3as,5r,5as,8ar,9r,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 -707.8 ± 16.7 kJ·mol−1
Dipole Moment 6.11 ± 1.08 D
Volume 318.86 Å 3
Surface Area 261.69 Å 2
HOMO Energy -10.26 ± 0.55 eV
LUMO Energy 2.45 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3as,5r,5as,8ar,9r,9as)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1h-azuleno[7,6-d]furan-2,8-dione
  • (1r,3as,5r,5as,8ar,9r,9as)-9-hydroxy-1,5,8a-trimethyl-3a,4,5,5a,9,9a-hexahydro-1h-azuleno[7,6-d]furan-2,8-quinone
  • azuleno(6,5-b)furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-3,4a,8-trimethyl-, (3r-(3alpha,3aalpha,4beta,4abeta,7abeta,8alpha,9abeta))-
  • desacetyl-1-epiisotenulin
  • desacetyl-1-isotenulin
CAS Number(s)
  • 10257-13-3
InChIKey ICKWITMQEROMDG-QNYKULNCSA-N
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