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CHEBI:39724 - β-D-fructofuranosyl 6-O-octanoyl-α-D-glucopyranoside

ChEBI IDCHEBI:39724
ChEBI Nameβ-D-fructofuranosyl 6-O-octanoyl-α-D-glucopyranoside
Stars
ASCII Namebeta-D-fructofuranosyl 6-O-octanoyl-alpha-D-glucopyranoside
DefinitionA carboxylic ester that results from the formal condensation between caprylic acid and the hydroxy group at position 6 of the glucosyl residue of sucrose.
Last Modified13 December 2018
DownloadsMolfile
FormulaC20H36O12
Net Charge0
Average Mass468.496
Monoisotopic Mass468.22068
SMILESCCCCCCCC(=O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(23)29-9-12-14(24)16(26)17(27)19(30-12)32-20(10-22)18(28)15(25)11(8-21)31-20/h11-12,14-19,21-22,24-28H,2-10H2,1H3/t11-,12-,14-,15-,16+,17-,18+,19-,20+/m1/s1
InChIKeyWSRKPJOHKUHAFB-OASARBKBSA-N
ChEBI Ontology
Outgoing Relation(s)
β-D-fructofuranosyl 6-O-octanoyl-α-D-glucopyranoside (CHEBI:39724) has functional parent sucrose (CHEBI:17992)
β-D-fructofuranosyl 6-O-octanoyl-α-D-glucopyranoside (CHEBI:39724) is a octanoate ester (CHEBI:87657)
IUPAC Name 
β-D-fructofuranosyl 6-O-octanoyl-α-D-glucopyranoside
Synonyms  Source
caprylic acid sucrose monoesterChEBI
6-sucrose monooctanoateChEBI
6-O-octanoylsucroseChEBI
Manual XrefsDatabases
20SPDBeChem
Registry NumbersSources
Reaxys:61937Reaxys