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CHEBI:64797 - α-muurolene

ChEBI IDCHEBI:64797
ChEBI Nameα-muurolene
Stars
ASCII Namealpha-muurolene
DefinitionA sesquiterpene that is 1,2,4a,5,6,8a-hexahydronaphthalene which is substituted at position 1 by an isopropyl group and at positions 4 and 7 by methyl groups (the 1S,4aS,8aR-diastereoisomer).
Last Modified23 October 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]12C=C(C)CC[C@]1([H])C(C)=CC[C@H]2C(C)C
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m0/s1
InChIKeyQMAYBMKBYCGXDH-ZNMIVQPWSA-N
ChEBI Ontology
Outgoing Relation(s)
α-muurolene (CHEBI:64797) is a carbobicyclic compound (CHEBI:36785)
α-muurolene (CHEBI:64797) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(1S,4aS,8aR)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene
Synonyms  Source
(1S,4aS,8aR)-1-isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthaleneIUPAC
MuuroleneChemIDplus
UniProt Name  Source
α-muuroleneUniProt
Manual XrefsDatabases
CPD-8798MetaCyc
Registry NumbersSources
Reaxys:2042841Reaxys
CAS:10208-80-7ChemIDplus
Citations