(-)-β-Caryophyllene

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Properties Simple | Detailed

Formula C15H24
IUPAC Name (1r,4e,9s)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene
Molecular Mass 204.351 g·mol−1
Heat of Formation -23.4 ± 16.7 kJ·mol−1
Dipole Moment 0.62 ± 1.08 D
Volume 295.18 Å 3
Surface Area 245.28 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 1.26 ± eV
Point Group Symmetry C1
Synonyms
  • (−)-trans-caryophyllene
  • (-)-trans-caryophyllene
  • (1r,4e,9s)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene
  • (1r,4e,9s)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene
  • (1r,4e,9s)-4,11,11-trimethyl-8-methylidene-bicyclo[7.2.0]undec-4-ene
  • (1r,4e,9s)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
  • .beta.-(e)-caryophyllene
  • 2-methylene-6,10,10-trimethylbicyclo(7.2.0)undec-5-ene
  • 4,11,11-trimethyl-8-methylenebicyclo(7.2.0)undec-4-ene, (1r-(1r*,4e,9s))-
  • 8-methylene-4,11,11-(trimethyl)bicyclo(7.2.0)undec-4-ene
  • beta-caryophyllen
  • beta-caryophyllene
  • beta-caryophyllene (natural)
  • bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1r,4e,9s)-
  • bicyclo(7.2.0)undec-4-ene, 4,11,11-trimethyl-8-methylene-, (1r-(1r*,4e,9s*))-
  • bicyclo(7.2.0)undec-4-ene, 8-methylene-4,11,11-trimethyl-, (e)-(1r,9s)-(-)-
  • caryophyllene (van)
  • lmpr01030030
  • trans-(1r,9s)-8-methylene-4,11,11-trimethylbicyclo[7.2.0]undec-4-ene
CAS Number(s)
  • 8007-38-3
  • 1407-53-0
  • 87-44-5
InChIKey NPNUFJAVOOONJE-GFUGXAQUSA-N
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