EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:64799 - β-copaene

ChEBI IDCHEBI:64799
ChEBI Nameβ-copaene
Stars
ASCII Namebeta-copaene
DefinitionA sesquiterpene that is tricyclo[4.4.0.02,7]decane bearing methyl, isopropyl and methylene substituents at positions 1, 8 and 3 respectively (the 1S,6S,7S,8S-diastereomer)
Last Modified7 June 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@]12CCC(=C)C3[C@@]1([H])[C@H](C(C)C)CC[C@]32C
InChIInChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12-,13-,14?,15-/m0/s1
InChIKeyUPVZPMJSRSWJHQ-XIQJJJERSA-N
ChEBI Ontology
Outgoing Relation(s)
β-copaene (CHEBI:64799) is a bridged compound (CHEBI:35990)
β-copaene (CHEBI:64799) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(1S,6S,7S,8S)-1-methyl-3-methylene-8-(propan-2-yl)-tricyclo[4.4.0.02,7]decane
Synonym  Source
(1S,6S,7S,8S)-8-isopropyl-1-methyl-3-methylenetricyclo[4.4.0.02,7]decaneIUPAC
UniProt Name  Source
β-copaeneUniProt
Manual XrefsDatabases
CPD-8740MetaCyc
Registry NumbersSources
Reaxys:8110676Reaxys
Citations