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CHEBI:49218 - (1R,6S)-α-himachalene

Default Structure
ChEBI IDCHEBI:49218
ChEBI Name(1R,6S)-α-himachalene
Stars
ASCII Name(1R,6S)-alpha-himachalene
DefinitionThe (1R,6S)-stereoisomer of cis-α-himachalene.
Last Modified30 April 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILES[H][C@@]12CCC(C)=C[C@]1([H])C(C)(C)CCCC2=C
InChIInChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,13-14H,2,5-9H2,1,3-4H3/t13-,14-/m0/s1
InChIKeyZJSIKVDEOWWVEH-KBPBESRZSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(1R,6S)-α-himachalene (CHEBI:49218) is a cis-α-himachalene (CHEBI:49216)
(1R,6S)-α-himachalene (CHEBI:49218) is enantiomer of (1S,6R)-α-himachalene (CHEBI:49219)
Incoming Relation(s)
(1S,6R)-α-himachalene (CHEBI:49219) is enantiomer of (1R,6S)-α-himachalene (CHEBI:49218)
IUPAC Names 
(4aS,9aR)-3,5,5-trimethyl-9-methylidene-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene
himachal-4,11-diene
Synonym  Source
(4aS,9aR)-3,5,5-trimethyl-9-methylene-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annuleneIUPAC
Manual XrefsDatabases
LMPR0103480001LIPID MAPS
Registry NumbersSources
Reaxys:1944780Reaxys
Citations