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1-[3-Hydroxy-4-(3,4,5-trihydroxy-6-hydroxymethyltetrahydropyran-2-yloxy)phenyl]ethanone

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-[3-Hydroxy-4-(3,4,5-trihydroxy-6-hydroxymethyltetrahydropyran-2-yloxy)phenyl]ethanone
SpectraBase Compound ID 4OOiOeyuCGq
InChI InChI=1S/C14H20O8/c1-6(16)7-2-3-9(8(17)4-7)21-14-13(20)12(19)11(18)10(5-15)22-14/h2-4,6,10-20H,5H2,1H3
InChIKey KXLLAISAGMELBI-UHFFFAOYSA-N
Mol Weight 316.31 g/mol
Molecular Formula C14H20O8
Exact Mass 316.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8paVSBv8wqc
Name 1-[3-Hydroxy-4-(3,4,5-trihydroxy-6-hydroxymethyltetrahydropyran-2-yloxy)phenyl]ethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.115817596 u
Formula C14H20O8
InChI InChI=1S/C14H20O8/c1-6(16)7-2-3-9(8(17)4-7)21-14-13(20)12(19)11(18)10(5-15)22-14/h2-4,6,10-20H,5H2,1H3
InChIKey KXLLAISAGMELBI-UHFFFAOYSA-N
Molecular Weight 316.306 g/mol
Nominal Mass 316 u
SMILES OC1C(C(OC(Oc2ccc(C(O)C)cc2O)C1O)CO)O