EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:49244 - (E,S)-α-bisabolene

ChEBI IDCHEBI:49244
ChEBI Name(E,S)-α-bisabolene
Stars
ASCII Name(E,S)-alpha-bisabolene
Last Modified7 May 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]1(/C(C)=C/CC=C(C)C)CC=C(C)CC1
InChIInChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7+/t15-/m1/s1
InChIKeyYHBUQBJHSRGZNF-KEQVLUGWSA-N
ChEBI Ontology
Outgoing Relation(s)
(E,S)-α-bisabolene (CHEBI:49244) is a (E)-α-bisabolene (CHEBI:49242)
(E,S)-α-bisabolene (CHEBI:49244) is enantiomer of (E,R)-α-bisabolene (CHEBI:49243)
Incoming Relation(s)
(E,R)-α-bisabolene (CHEBI:49243) is enantiomer of (E,S)-α-bisabolene (CHEBI:49244)
IUPAC Names 
(1S,9E)-bisabola-4,7(11),9-triene
(4S)-4-[(1E)-1,5-dimethylhexa-1,4-dien-1-yl]-1-methylcyclohexene
Registry NumbersSources
Beilstein:2414203Beilstein