EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:61680 - (1S,4aS)-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene

ChEBI IDCHEBI:61680
ChEBI Name(1S,4aS)-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Stars
ASCII Name(1S,4aS)-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
DefinitionAn ortho-fused bicyclic hydrocarbon with a structure consisting of decalin hydrogenated across C(7)‒C(8) and with methyl groups at C(1) and C(4a) which both have S configuration.
Last Modified7 September 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC12H20
Net Charge0
Average Mass164.292
Monoisotopic Mass164.15650
SMILESC[C@H]1CCC[C@@]2(C)CCC=CC12
InChIInChI=1S/C12H20/c1-10-6-5-9-12(2)8-4-3-7-11(10)12/h3,7,10-11H,4-6,8-9H2,1-2H3/t10-,11?,12+/m0/s1
InChIKeyHDVGBFCTHLFNEE-ASKATJPDSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S,4aS)-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene (CHEBI:61680) is a ortho-fused bicyclic hydrocarbon (CHEBI:35428)
(1S,4aS)-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene (CHEBI:61680) is a octahydronaphthalenes (CHEBI:138397)
IUPAC Name 
(1S,4aS)-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
UniProt Name  Source
(1S,4aS)-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthaleneUniProt
Registry NumbersSources
Reaxys:10427599Reaxys
Citations