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

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Properties Simple | Detailed

Formula C15H20O4
IUPAC Name (1s,3ar,5s,5ar,9s,9as)-9-hydroxy-1,5,8-trimethyl-1,3a,4,5,5a,6,9,9a-octahydroazuleno[6,5-b]furan-2,7-dione
Molecular Mass 264.317 g·mol−1
Heat of Formation -745.2 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 319.78 Å 3
Surface Area 268.48 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3ar,5s,5ar,9s,9as)-9-hydroxy-1,5,8-trimethyl-1,3a,4,5,5a,6,9,9a-octahydroazuleno[5,6-d]furan-2,7-dione
  • (1s,3ar,5s,5ar,9s,9as)-9-hydroxy-1,5,8-trimethyl-1,3a,4,5,5a,6,9,9a-octahydroazuleno[5,6-d]furan-2,7-quinone
  • geigerin
CAS Number(s)
  • 436-45-3
InChIKey BFWXQSLJSDLIAA-GSGOXJSYSA-N
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