(9S,9As)-9A-Hydroxy-9-Isopropenyl-2-Isopropyl-6-Methyl-7,8,9,9A-Tetrahydro-1H-Phenalen-1-One

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Properties Simple | Detailed

Formula C20H24O2
IUPAC Name (9s,9as)-9a-hydroxy-9-isopropenyl-2-isopropyl-6-methyl-8,9-dihydro-7h-phenalen-1-one
Molecular Mass 296.403 g·mol−1
Heat of Formation -293.4 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 378.86 Å 3
Surface Area 304.13 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • (9s,9as)-9a-hydroxy-6-methyl-2-propan-2-yl-9-prop-1-en-2-yl-8,9-dihydro-7h-phenalen-1-one
  • (9s,9as)-9a-hydroxy-9-isopropenyl-2-isopropyl-6-methyl-8,9-dihydro-7h-phenalen-1-one
  • 9a-hydroxy-9-isopropenyl-2-isopropyl-6-methyl-7,8,9,9a-tetrahydro-1h-phenalen-1-one
  • 9a-hydroxy-9-isopropenyl-2-isopropyl-6-methyl-7,8,9,9a-tetrahydro-phenalen-1-one
  • saprirearine
InChIKey DLCPEPBEODTUSV-PXNSSMCTSA-N
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