1-[2-Hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone, 5me derivative

SpectraBase Compound ID	F9zDGM4emCx
InChI	InChI=1S/C20H30O8/c1-11-8-13(9-14(23-4)16(11)12(2)21)27-20-19(26-7)18(25-6)17(24-5)15(28-20)10-22-3/h8-9,15,17-20H,10H2,1-7H3/t15-,17-,18+,19-,20-/m1/s1
InChIKey	HVHHIJXFRNNDET-XIKSMUEASA-N Google Search
Mol Weight	398.45 g/mol
Molecular Formula	C20H30O8
Exact Mass	398.194068 g/mol

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SpectraBase Spectrum ID	F72I1hFwvbF
Name	1-[2-Hydroxy-6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone, 5me derivative
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	398.194067918 u
Formula	C20H30O8
InChI	InChI=1S/C20H30O8/c1-11-8-13(9-14(23-4)16(11)12(2)21)27-20-19(26-7)18(25-6)17(24-5)15(28-20)10-22-3/h8-9,15,17-20H,10H2,1-7H3/t15-,17-,18+,19-,20-/m1/s1
InChIKey	HVHHIJXFRNNDET-XIKSMUEASA-N
Molecular Weight	398.452 g/mol
SMILES	C1(=C(C=C(C=C1OC)O[C@]1([C@@]([C@]([C@@]([C@](O1)(COC)[H])(OC)[H])(OC)[H])(OC)[H])[H])C)C(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.853878