.alpha.-D-Glucopyranoside, 1-O-(1-oxooctyl)-.beta.-D-fructofuranosyl

SpectraBase Compound ID	Jbp2EGYvppH
InChI	InChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(23)29-10-20(18(28)15(25)12(9-22)31-20)32-19-17(27)16(26)14(24)11(8-21)30-19/h11-12,14-19,21-22,24-28H,2-10H2,1H3/t11-,12-,14-,15-,16+,17-,18+,19-,20-/m1/s1
InChIKey	GFKALCSVKPSQQZ-VVGLLLNFSA-N Google Search
Mol Weight	468.5 g/mol
Molecular Formula	C20H36O12
Exact Mass	468.220677 g/mol

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SpectraBase Spectrum ID	KxGRpJYJKNt
Name	.alpha.-D-Glucopyranoside, 1-O-(1-oxooctyl)-.beta.-D-fructofuranosyl
CAS Registry Number	123499-65-0
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H36O12
InChI	InChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(23)29-10-20(18(28)15(25)12(9-22)31-20)32-19-17(27)16(26)14(24)11(8-21)30-19/h11-12,14-19,21-22,24-28H,2-10H2,1H3/t11-,12-,14-,15-,16+,17-,18+,19-,20-/m1/s1
InChIKey	GFKALCSVKPSQQZ-VVGLLLNFSA-N
Molecular Weight	468.496 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)CCCCCCC)(O)[H])[H]
SPLASH	splash10-0006-0908600000-34bbcb416ec91f827147
Source of Spectrum	KC-1989-1060-1
Synonyms	1'-O-octanoylsucrose 1-O-octanoyl-.alpha.-D-arabino-hex-2-ulofuranosyl .alpha.-D-glucopyranoside Octanoic acid [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxolanyl]methyl ester [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl octanoate [(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydrofuran-2-yl]methyl octanoate [(2R,3S,4S,5R)-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl octanoate
Wiley ID	1392297