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CHEBI:142091 - (−)-eremophilene

ChEBI IDCHEBI:142091
ChEBI Name(−)-eremophilene
Stars
ASCII Name(-)-eremophilene
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 3R,4aR,5S- diastereoisomer).
Last Modified5 September 2018
SubmitterGareth Owen
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+/m0/s1
InChIKeyQEBNYNLSCGVZOH-GZBFAFLISA-N
ChEBI Ontology
Outgoing Relation(s)
(−)-eremophilene (CHEBI:142091) is a octahydronaphthalenes (CHEBI:138397)
(−)-eremophilene (CHEBI:142091) is a polycyclic olefin (CHEBI:35714)
(−)-eremophilene (CHEBI:142091) is a sesquiterpene (CHEBI:35189)
(−)-eremophilene (CHEBI:142091) is enantiomer of (+)-eremophilene (CHEBI:137562)
Incoming Relation(s)
(+)-eremophilene (CHEBI:137562) is enantiomer of (−)-eremophilene (CHEBI:142091)
IUPAC Name 
(3R,4aR,5S)-4a,5-dimethyl-3-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene
Synonyms  Source
eremophileneChEBI
(1S,7R,8aR)-1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-naphthaleneChemIDplus
eremophila-1(10),11-dieneChemIDplus
(1S-(1α,7α,8aα))-1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-naphthaleneChemIDplus
Registry NumbersSources
Reaxys:2554904Reaxys
CAS:10219-75-7ChemIDplus
CAS:10219-75-7NIST Chemistry WebBook
Citations