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

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ChEBI Name (1S,4aS)-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
ChEBI ID CHEBI:61680
ChEBI ASCII Name (1S,4aS)-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H20
Net Charge 0
Average Mass 164.28720
Monoisotopic Mass 164.15650
InChI InChI=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
InChIKey HDVGBFCTHLFNEE-ASKATJPDSA-N
SMILES C[C@H]1CCC[C@@]2(C)CCC=CC12
ChEBI Ontology
Outgoing (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
Synonym Source
(1S,4aS)-1,4a-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene UniProt
Registry Number Type Source
10427599 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16787064 PubMed citation Europe PMC
Last Modified
07 September 2017