(1R,2S,4S,10R,12R,14R,15R)-7-Formyl-4-Isopropenyl-12-Methyl-17-Oxo-11,16,18,19-Tetraoxapentacyclo[12.2.2.1~6,9~.0~1,15~.0~10,12~]Nonadeca-6,8-Dien-2-Yl Acetate

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Properties Simple | Detailed

Formula C22H24O8
IUPAC Name (1r,2s,4s,10r,12r,14r,15r)-7-formyl-4-isopropenyl-12-methyl-17-oxo-11,16,18,19-tetraoxapentacyclo[12.2.2.1 6,9 .0 1,15 .0 10,12 ]nonadeca-6,8-dien-2-yl acetate
Molecular Mass 416.421 g·mol−1
Heat of Formation -956.7 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 481.68 Å 3
Surface Area 364.24 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • 11,16,18,19-tetraoxapentacyclo(12.2.2.1(sup 6,9).0(sup 1,15).0(10,12))nonadeca-6,8-diene-7-carboxaldehyde, 2-(acetyloxy)-12-methyl-4-(1-methylethenyl)-17-oxo-, (1r-(1r*,2s*,4s*,10r*,12r*,14r*,15r*))-
  • 11,16,18,19-tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-diene-7-carboxaldehyde, 2-(acetyloxy)-12-methyl-4-(1-methylethenyl)-17-oxo-, (1r,2s,4s,10r,12r,14r,15r)-
  • 11,16,18,19-tetraoxapentacyclo(12.2.2.16,9.01,15.010,12)nonadeca-6,8-diene-7-carboxaldehyde, 2-(acetyloxy)-12-methyl-4-(1-methylethenyl)-17-oxo-, (1r-(1r*,2s*,4s*,10r*,12r*,14r*,15r*))-
InChIKey KGRIGHVGXOOCOY-ALYDTWDZSA-N
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