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CHEBI:86965 - (3S,4S)-A2-32-01

ChEBI IDCHEBI:86965
ChEBI Name(3S,4S)-A2-32-01
Stars
ASCII Name(3S,4S)-A2-32-01
DefinitionA 3-(non-8-en-1-yl)-4-[2-(pyridin-3-yl)ethyl]oxetan-2-one in which the stereocentres at positions 3 and 4 have S-configuration.
Last Modified17 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC19H27NO2
Net Charge0
Average Mass301.430
Monoisotopic Mass301.20418
SMILESC=CCCCCCCC[C@@H]1C(=O)O[C@H]1CCc1cccnc1
InChIInChI=1S/C19H27NO2/c1-2-3-4-5-6-7-8-11-17-18(22-19(17)21)13-12-16-10-9-14-20-15-16/h2,9-10,14-15,17-18H,1,3-8,11-13H2/t17-,18-/m0/s1
InChIKeyWBHVHPLFRGISDD-ROUUACIJSA-N
ChEBI Ontology
Outgoing Relation(s)
(3S,4S)-A2-32-01 (CHEBI:86965) is a 3-(non-8-en-1-yl)-4-[2-(pyridin-3-yl)ethyl]oxetan-2-one (CHEBI:86967)
Incoming Relation(s)
A2-32-01 (CHEBI:86341) has part (3S,4S)-A2-32-01 (CHEBI:86965)
IUPAC Name 
(3S,4S)-3-(non-8-en-1-yl)-4-[2-(pyridin-3-yl)ethyl]oxetan-2-one