Laevinone A

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Properties Simple | Detailed

Formula C17H22O4
IUPAC Name [(1s,8s,9z,10as)-1,9,10a-trimethyl-3,7-dioxo-2,5,6,8-tetrahydro-1h-benzo[8]annulen-8-yl] acetate
Molecular Mass 290.354 g·mol−1
Heat of Formation -708.8 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 357.95 Å 3
Surface Area 291.75 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s,8s,9z,10as)-1,9,10a-trimethyl-3,7-dioxo-2,5,6,8-tetrahydro-1h-benzo[8]annulen-8-yl] acetate
  • [(1s,8s,9z,10as)-1,9,10a-trimethyl-3,7-dioxo-2,5,6,8-tetrahydro-1h-benzo[8]annulen-8-yl] ethanoate
  • acetic acid [(1s,8s,9z,10as)-1,9,10a-trimethyl-3,7-dioxo-2,5,6,8-tetrahydro-1h-benzo[8]annulen-8-yl] ester
  • acetic acid [(1s,8s,9z,10as)-3,7-diketo-1,9,10a-trimethyl-2,5,6,8-tetrahydro-1h-benzo[8]annulen-8-yl] ester
InChIKey HAKXFVQZZGAKIY-JMFGWXFPSA-N
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