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

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ChEBI Name β-D-fructofuranosyl 6-O-octanoyl-α-D-glucopyranoside
ChEBI ID CHEBI:39724
ChEBI ASCII Name beta-D-fructofuranosyl 6-O-octanoyl-alpha-D-glucopyranoside
Definition A carboxylic ester that results from the formal condensation between caprylic acid and the hydroxy group at position 6 of the glucosyl residue of sucrose.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H36O12
Net Charge 0
Average Mass 468.493
Monoisotopic Mass 468.22068
InChI InChI=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
InChIKey WSRKPJOHKUHAFB-OASARBKBSA-N
SMILES [C@@H]1(O[C@@]2(CO)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)COC(CCCCCCC)=O
ChEBI Ontology
Outgoing 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 Sources
6-O-octanoylsucrose ChEBI
6-sucrose monooctanoate ChEBI
caprylic acid sucrose monoester ChEBI
Manual Xref Database
20S PDBeChem
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Registry Number Type Source
61937 Reaxys Registry Number Reaxys
Last Modified
13 December 2018