Elisabatin A

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Properties Simple | Detailed

Formula C20H22O3
IUPAC Name (4s,6s)-7-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6-dihydro-4h-phenalene-1,2-dione
Molecular Mass 310.387 g·mol−1
Heat of Formation -426.3 ± 16.7 kJ·mol−1
Dipole Moment 6.55 ± 1.08 D
Volume 382.43 Å 3
Surface Area 319.31 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • (4s,6s)-7-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6-dihydro-4h-phenalene-1,2-dione
  • (4s,6s)-7-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6-dihydro-4h-phenalene-1,2-quinone
  • 1h-phenalene-1,2(4h)-dione, 5,6-dihydro-7-hydroxy-3,6,9-trimethyl-4-(2-methyl-1-propenyl)-
  • peh-ii
InChIKey JVQJPMIBFYBOEO-GXFFZTMASA-N
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