loading...| Preferred Name |
(+)-beta-caryophyllene |
|
| Synonyms |
(1S,4E,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene (+)-(E)-beta-caryophyllene (+)-caryophyllene trans-(1S,9R)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene |
|
| 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 |
PMID:21693706 PMID:34214299 Reaxys:6767547 |
|
| 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_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 |
(+)-(E)-beta-caryophyllene (+)-caryophyllene trans-(1S,9R)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene |
|
| 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 |
|
| RO_0000087 | ||
| smiles |
[H][C@@]12CC(C)(C)[C@@]1([H])CC\C(C)=C\CCC2=C |
|
| subClassOf |