.beta.-D-Glucopyranoside, 3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-methylbutyl, 5me derivative

SpectraBase Compound ID	FsmqmGjeIOA
InChI	InChI=1S/C25H38O9/c1-16(32-21(26)13-10-18-8-11-19(28-4)12-9-18)14-17(2)33-25-24(31-7)23(30-6)22(29-5)20(34-25)15-27-3/h8-13,16-17,20,22-25H,14-15H2,1-7H3/b13-10+/t16?,17?,20-,22-,23+,24-,25-/m1/s1
InChIKey	GEZMRYUBTIHERM-QOJDAOBLSA-N Google Search
Mol Weight	482.6 g/mol
Molecular Formula	C25H38O9
Exact Mass	482.251583 g/mol

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SpectraBase Spectrum ID	7FdSiSZtoVp
Name	.beta.-D-Glucopyranoside, 3-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1-methylbutyl, 5me derivative
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	482.251582795 u
Formula	C25H38O9
InChI	InChI=1S/C25H38O9/c1-16(32-21(26)13-10-18-8-11-19(28-4)12-9-18)14-17(2)33-25-24(31-7)23(30-6)22(29-5)20(34-25)15-27-3/h8-13,16-17,20,22-25H,14-15H2,1-7H3/b13-10+/t16?,17?,20-,22-,23+,24-,25-/m1/s1
InChIKey	GEZMRYUBTIHERM-QOJDAOBLSA-N
Molecular Weight	482.570 g/mol
SMILES	[C@@]1(OC(CC(C)OC(\C=C\C2=CC=C(C=C2)OC)=O)C)([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR)	0.930372