loading...| Preferred Name |
beta-caryophyllene |
|
| Synonyms |
(4E)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
|
| Definitions |
A sesquiterpene with a [7.2.0]-bicyclic structure comprising fused 9- and 4-membered rings, with a trans-ring junction, a trans-double bond between the 4- and 5-positions of the 9-membered ring, a methylidene group at position 9, and methyl groups at positions 3, 11, and 11. The most commonly occurring form is the (1R,9S)-(-)-enantiomer, which is found in many essential oils, particularly clove oil. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_63191 |
|
| charge |
0 |
|
| definition |
A sesquiterpene with a [7.2.0]-bicyclic structure comprising fused 9- and 4-membered rings, with a trans-ring junction, a trans-double bond between the 4- and 5-positions of the 9-membered ring, a methylidene group at position 9, and methyl groups at positions 3, 11, and 11. The most commonly occurring form is the (1R,9S)-(-)-enantiomer, which is found in many essential oils, particularly clove oil. |
|
| formula |
C15H24 |
|
| has_exact_synonym |
(4E)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene |
|
| has_obo_namespace |
chebi_ontology |
|
| id |
CHEBI:63191 |
|
| 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+ |
|
| inchikey |
NPNUFJAVOOONJE-IZZDOVSWSA-N |
|
| label |
beta-caryophyllene |
|
| mass |
204.357 |
|
| monoisotopicmass |
204.18780 |
|
| notation |
CHEBI:63191 |
|
| prefLabel |
beta-caryophyllene |
|
| smiles |
C\C1=C/CCC(=C)C2CC(C)(C)C2CC1 |
|
| subClassOf |