Catalog Number:
AG003O03
Chemical Name:
Beta-caryophyllene
CAS Number:
87-44-5
Molecular Formula:
C15H24
Molecular Weight:
204.3511
MDL Number:
MFCD00075925
IUPAC Name:
(1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
InChI:
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
InChI Key:
NPNUFJAVOOONJE-GFUGXAQUSA-N
SMILES:
CC1=CCCC(=C)C2C(CC1)C(C2)(C)C
EC Number:
201-746-1
UNII:
BHW853AU9H
FEMA Number:
2252
