CHEBI:142091 - (−)-eremophilene

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ChEBI Name (−)-eremophilene ChEBI ID CHEBI:142091 ChEBI ASCII Name (-)-eremophilene Definition A 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). Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C15H24 Net Charge 0 Average Mass 204.352 Monoisotopic Mass 204.18780 InChI InChI=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 InChIKey QEBNYNLSCGVZOH-GZBFAFLISA-N SMILES C=1CC[C@@H]([C@@]2(C1CC[C@H](C2)C(C)=C)C)C ChEBI Ontology Outgoing (−)-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 (+)-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 Sources (1S,7R,8aR)-1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-naphthalene ChemIDplus (1S-(1α,7α,8aα))-1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-naphthalene ChemIDplus eremophila-1(10),11-diene ChemIDplus eremophilene ChEBI Registry Numbers Types Sources 10219-75-7 CAS Registry Number NIST Chemistry WebBook 10219-75-7 CAS Registry Number ChemIDplus 2554904 Reaxys Registry Number Reaxys Citation Type Source 29996498 PubMed citation Europe PMC Last Modified 05 September 2018