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CHEBI:63780 - (S,S)-traseolide

ChEBI IDCHEBI:63780
ChEBI Name(S,S)-traseolide
Stars
ASCII Name(S,S)-traseolide
DefinitionTraseolide in (S,S)-trans configuration.
Last Modified20 February 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC18H26O
Net Charge0
Average Mass258.405
Monoisotopic Mass258.19837
SMILESCC(=O)c1cc2c(cc1C)C(C)(C)[C@@H](C)[C@@H]2C(C)C
InChIInChI=1S/C18H26O/c1-10(2)17-12(4)18(6,7)16-8-11(3)14(13(5)19)9-15(16)17/h8-10,12,17H,1-7H3/t12-,17-/m0/s1
InChIKeyIMRYETFJNLKUHK-SJCJKPOMSA-N
Roles Classification
Biological Role:
odorant receptor agonist  An agonist that selectively binds to and activates an odorant receptor.
Application:
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
(S,S)-traseolide (CHEBI:63780) is a traseolide (CHEBI:63781)
IUPAC Name 
1-[(2S,3S)-1,1,2,6-tetramethyl-3-(propan-2-yl)-2,3-dihydro-1H-inden-5-yl]ethanone
Synonyms  Source
traseolideChEBI
(2S,3S)-traseolideChEBI
Registry NumbersSources
Reaxys:9333409Reaxys
Citations