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CHEBI:137562 - (+)-eremophilene

ChEBI IDCHEBI:137562
ChEBI Name(+)-eremophilene
Stars
DefinitionA member of the classs of octahydronaphthalenes and a sesquiterpene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene which is substituted by an isopropenyl group at position 3 and by methyl groups at positions 4a and 5 (the 3S,4aS,5R- diastereoisomer).
Last Modified4 September 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESC=C(C)[C@H]1CCC2=CCC[C@@H](C)[C@]2(C)C1
InChIInChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3/t12-,13+,15+/m1/s1
InChIKeyQEBNYNLSCGVZOH-IPYPFGDCSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-eremophilene (CHEBI:137562) is a octahydronaphthalenes (CHEBI:138397)
(+)-eremophilene (CHEBI:137562) is a polycyclic olefin (CHEBI:35714)
(+)-eremophilene (CHEBI:137562) is a sesquiterpene (CHEBI:35189)
(+)-eremophilene (CHEBI:137562) is enantiomer of (−)-eremophilene (CHEBI:142091)
Incoming Relation(s)
(−)-eremophilene (CHEBI:142091) is enantiomer of (+)-eremophilene (CHEBI:137562)
IUPAC Name 
(3S,4aS,5R)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
UniProt Name  Source
(+)-eremophileneUniProt
Manual XrefsDatabases
CPD-20084MetaCyc
C21684KEGG COMPOUND
Registry NumbersSources
Reaxys:27804327Reaxys
Citations