Preferred Name |
(+)-beta-caryophyllene |
|
Synonyms |
(1S,4E,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene (+)-caryophyllene trans-(1S,9R)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene (+)-(E)-beta-caryophyllene |
|
Definitions |
A beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has R configuration while the remaining stereocentre has S configuration. It is the enantiomer of (-)-beta-caryophyllene, which occurs much more widely than the (+)-form. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_63190 |
|
charge |
0 |
|
database_cross_reference |
Reaxys:6767547 PMID:34214299 PMID:21693706 |
|
definition |
A beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has R configuration while the remaining stereocentre has S configuration. It is the enantiomer of (-)-beta-caryophyllene, which occurs much more widely than the (+)-form. |
|
formula |
C15H24 |
|
has role | ||
has_exact_synonym |
(1S,4E,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
(+)-caryophyllene trans-(1S,9R)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene (+)-(E)-beta-caryophyllene |
|
id |
CHEBI:63190 |
|
in_subset | ||
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-/m0/s1 |
|
inchikey |
NPNUFJAVOOONJE-IOMPXFEGSA-N |
|
is enantiomer of | ||
label |
(+)-beta-caryophyllene |
|
mass |
204.35110 |
|
monoisotopicmass |
204.18780 |
|
notation |
CHEBI:63190 |
|
prefLabel |
(+)-beta-caryophyllene |
|
smiles |
[H][C@@]12CC(C)(C)[C@@]1([H])CC\C(C)=C\CCC2=C |
|
treeView | ||
subClassOf |