Cembrene A

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Properties Simple | Detailed

Formula C20H32
IUPAC Name (1e,5e,9e,12r)-12-isopropenyl-1,5,9-trimethyl-cyclotetradeca-1,5,9-triene
Molecular Mass 272.468 g·mol−1
Heat of Formation -80.1 ± 16.7 kJ·mol−1
Dipole Moment 0.53 ± 1.08 D
Volume 413.0 Å 3
Surface Area 311.91 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 1.24 ± eV
Point Group Symmetry C1
Synonyms
  • (1e,5e,12r)-1,5,9-trimethyl-12-prop-1-en-2-yl-cyclotetradeca-1,5,9-triene
  • (1e,5e,12r)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene
  • (1e,5e,12r)-12-isopropenyl-1,5,9-trimethyl-cyclotetradeca-1,5,9-triene
  • (1e,5e,12r)-12-isopropenyl-1,5,9-trimethylcyclotetradeca-1,5,9-triene
  • (1e,5e,9e,12r)-1,5,9-trimethyl-12-prop-1-en-2-yl-cyclotetradeca-1,5,9-triene
  • (1e,5e,9e,12r)-1,5,9-trimethyl-12-prop-1-en-2-ylcyclotetradeca-1,5,9-triene
  • (1e,5e,9e,12r)-12-isopropenyl-1,5,9-trimethyl-cyclotetradeca-1,5,9-triene
  • (1e,5e,9e,12r)-12-isopropenyl-1,5,9-trimethylcyclotetradeca-1,5,9-triene
  • 1,5,9-cyclotetradecatriene, 1,5,9-trimethyl-12-(1-methylethenyl)-, (r-(e,e,e))-
  • 1,5,9-trimethyl-12-(1-methylethenyl)-1,5,9-cyclotetradecatriene
  • lmpr01040096
  • neocembrene
CAS Number(s)
  • 31570-39-5
InChIKey VWSPQDDPRITBAM-KPGNMOGWSA-N
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