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.alpha.-D-Glucopyranoside, 1-O-(1-oxohexyl)-.beta.-D-fructofuranosyl
SpectraBase Compound ID 2atKGD61iOi
InChI InChI=1S/C18H32O12/c1-2-3-4-5-11(21)27-8-18(16(26)13(23)10(7-20)29-18)30-17-15(25)14(24)12(22)9(6-19)28-17/h9-10,12-17,19-20,22-26H,2-8H2,1H3/t9-,10-,12-,13-,14+,15-,16+,17-,18-/m1/s1
InChIKey UJGIOHCVICKKIQ-MQWUBMAMSA-N
Mol Weight 440.4 g/mol
Molecular Formula C18H32O12
Exact Mass 440.189376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7iOM8a6ti9H
Name .alpha.-D-Glucopyranoside, 1-O-(1-oxohexyl)-.beta.-D-fructofuranosyl
Alternate Name(s) 1'-O-hexanoylsucrose 1-O-hexanoyl-.alpha.-D-arabino-hex-2-ulofuranosyl .alpha.-D-glucopyranoside
CAS Registry Number 123499-64-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O12
InChI InChI=1S/C18H32O12/c1-2-3-4-5-11(21)27-8-18(16(26)13(23)10(7-20)29-18)30-17-15(25)14(24)12(22)9(6-19)28-17/h9-10,12-17,19-20,22-26H,2-8H2,1H3/t9-,10-,12-,13-,14+,15-,16+,17-,18-/m1/s1
InChIKey UJGIOHCVICKKIQ-MQWUBMAMSA-N
Molecular Weight 440.442 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)CCCCC)(O)[H])[H]
SPLASH splash10-014l-0905400000-021c5e4664d56fd418fd
Source of Spectrum KC-1989-1060-1
Wiley ID 1384551