EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:61690 - (+)-α-barbatene

ChEBI IDCHEBI:61690
ChEBI Name(+)-α-barbatene
Stars
ASCII Name(+)-alpha-barbatene
DefinitionA carbotricyclic compound and sesquiterpene that is 1,2,3,3a,4,5,8,8a-octahydro-4,8-methanoazulene that is substituted by methyl groups at the 3a, 4, 7 and 8a positions (the 3aR,4R,8R,8aS-diastereoisomer).
Last Modified27 May 2011
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]12C[C@@](C)(CC=C1C)[C@@]1(C)CCC[C@]12C
InChIInChI=1S/C15H24/c1-11-6-9-13(2)10-12(11)14(3)7-5-8-15(13,14)4/h6,12H,5,7-10H2,1-4H3/t12-,13-,14+,15-/m1/s1
InChIKeyRMKQBFUAKZOVPQ-APIJFGDWSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-α-barbatene (CHEBI:61690) is a carbotricyclic compound (CHEBI:38032)
(+)-α-barbatene (CHEBI:61690) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(3aR,4R,8R,8aS)-3a,4,7,8a-tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-4,8-methanoazulene
UniProt Name  Source
(+)-α-barbateneUniProt
Manual XrefsDatabases
CPD-8235MetaCyc
Registry NumbersSources
Reaxys:4378271Reaxys
Citations