(1S,2S,5R,6S,7R,10S)-10-Methyl-5-[(2Z)-6-Methyl-2,5-Heptadien-2-Yl]-8-Oxotricyclo[5.2.1.0~2,6~]Dec-3-Ene-2-Carbaldehyde

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Properties Simple | Detailed

Formula C20H26O2
IUPAC Name (1s,2s,5r,6s,7r,10s)-10-methyl-5-[(2z)-6-methyl-2,5-heptadien-2-yl]-8-oxotricyclo[5.2.1.0 2,6 ]dec-3-ene-2-carbaldehyde
Molecular Mass 298.419 g·mol−1
Heat of Formation -205.2 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 390.07 Å 3
Surface Area 313.65 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(1,5-dimethyl-hexa-1,4-dienyl)-8-methyl-6-oxo-1,4,5,6,7,7a-hexahydro-4,7-methano-indene-3a-carbaldehyde
  • 4,7-methano-3ah-indene-3a-carboxaldehyde, 1-[(1z)-1,5-dimethyl-1,4-hexadienyl]-1,4,5,6,7,7a-hexahydro-8-methyl-6-oxo-, (1r,3as,4s,7r,7as,8r)-
  • dictyterpenoid a
  • rel-(1r,3as,4s,7r,7as,8r)-1-[(1z)-1,5-dimethylhexa-1,4-dien-1-yl]-8-methyl-6-oxo-1,4,5,6,7,7a-hexahydro-3ah-4,7-methanoindene-3a-carbaldehyde
InChIKey UQEZUQNIKSIGBN-PFICUTCCSA-N
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