Beta-Caryophyllene

Beta-Caryophyllene bmse001252 - Data

Beta-Caryophyllene synonyms

Wikipedia:

Graphical representations:

beta-Caryophyllene

View large 3D structure

Molecular Formula: C15H24

Natural Isotopic Abundance Mass: 204.35106

Mono-Isotopic Molecular Masses:

  • C12N14: 204.187800768
  • C13N14: 219.238123338
  • C12N15: 204.187800768
  • C13N15: 219.238123338

InChI string: InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14-/m1/s1

IUPAC: (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene

PubChem Compound (CID): 5281515

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)