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CHEBI:132832 - (+)-α-gurjunene

ChEBI IDCHEBI:132832
ChEBI Name(+)-α-gurjunene
Stars
ASCII Name(+)-alpha-gurjunene
DefinitionA tricyclic sesquiterpene that is 1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene carrying four methyl substituents at positions 1, 1, 4 and 7.
Last Modified27 January 2017
Submitterliuqingping
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]12C3=C(C)CC[C@@]3([H])[C@@H](C)CC[C@]1([H])C2(C)C
InChIInChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9,11-12,14H,5-8H2,1-4H3/t9-,11-,12-,14-/m0/s1
InChIKeySPCXZDDGSGTVAW-HVTMNAMFSA-N
Species of MetaboliteComponentSourceComments
Conocephalum conicum (ncbitaxon:41839) - Article (Phytochem., (1999), 51, 277)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(+)-α-gurjunene (CHEBI:132832) has role plant metabolite (CHEBI:76924)
(+)-α-gurjunene (CHEBI:132832) is a carbotricyclic compound (CHEBI:38032)
(+)-α-gurjunene (CHEBI:132832) is a polycyclic olefin (CHEBI:35714)
(+)-α-gurjunene (CHEBI:132832) is a sesquiterpene (CHEBI:35189)
(+)-α-gurjunene (CHEBI:132832) is enantiomer of (−)-α-gurjunene (CHEBI:61699)
Incoming Relation(s)
(−)-α-gurjunene (CHEBI:61699) is enantiomer of (+)-α-gurjunene (CHEBI:132832)
IUPAC Name 
(1aS,4S,4aS,7bR)-1,1,4,7-tetramethyl-1a,2,3,4,4a,5,6,7b-octahydro-1H-cyclopropa[e]azulene
Synonym  Source
(+)-alpha-GurjuneneKNApSAcK
Manual XrefsDatabases
C00038071KNApSAcK
Registry NumbersSources
Reaxys:6791884Reaxys
CAS:67650-50-4KNApSAcK