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.alpha.-D-Glucopyranoside, 1-O-(1-oxobutyl)-.beta.-D-fructofuranosyl
SpectraBase Compound ID D40ksirw2Vz
InChI InChI=1S/C16H28O12/c1-2-3-9(19)25-6-16(14(24)11(21)8(5-18)27-16)28-15-13(23)12(22)10(20)7(4-17)26-15/h7-8,10-15,17-18,20-24H,2-6H2,1H3/t7-,8-,10-,11-,12+,13-,14+,15-,16-/m1/s1
InChIKey NXWOTQDZISYBPL-NZVURXJJSA-N
Mol Weight 412.39 g/mol
Molecular Formula C16H28O12
Exact Mass 412.158076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AA6pdLVuRlt
Name .alpha.-D-Glucopyranoside, 1-O-(1-oxobutyl)-.beta.-D-fructofuranosyl
CAS Registry Number 111933-83-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28O12
InChI InChI=1S/C16H28O12/c1-2-3-9(19)25-6-16(14(24)11(21)8(5-18)27-16)28-15-13(23)12(22)10(20)7(4-17)26-15/h7-8,10-15,17-18,20-24H,2-6H2,1H3/t7-,8-,10-,11-,12+,13-,14+,15-,16-/m1/s1
InChIKey NXWOTQDZISYBPL-NZVURXJJSA-N
Molecular Weight 412.388 g/mol
SMILES O[C@]1([C@@]([C@@](O[C@@]2([C@@]([C@]([C@@]([C@@](CO)(O2)[H])(O)[H])(O)[H])(O)[H])[H])(O[C@@]1(CO)[H])COC(=O)CCC)(O)[H])[H]
SPLASH splash10-03du-6204900000-68ca3608864076c440f4
Source of Spectrum KC-1989-1060-1
Synonyms 1'-O-butyrylsucrose 1-O-butyryl-.alpha.-D-arabino-hex-2-ulofuranosyl .alpha.-D-glucopyranoside
Wiley ID 1374272