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2,4,6-TRIHYDROXYACETOPHENONE-3-C-BETA-(2'-O-PARA-HYDROXYBENZOYL)-GLUCOPYRANOSIDE
SpectraBase Compound ID IEfw6ryDqq4
InChI InChI=1S/C21H22O11/c1-8(23)14-11(25)6-12(26)15(17(14)28)19-20(18(29)16(27)13(7-22)31-19)32-21(30)9-2-4-10(24)5-3-9/h2-6,13,16,18-20,22,24-29H,7H2,1H3/t13-,16-,18+,19+,20-/m0/s1
InChIKey ICMNHOKGFIREHY-RDKOAJKFSA-N
Mol Weight 450.4 g/mol
Molecular Formula C21H22O11
Exact Mass 450.116212 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6eC88tXQ2gT
Name 2,4,6-TRIHYDROXYACETOPHENONE-3-C-BETA-(2'-O-PARA-HYDROXYBENZOYL)-GLUCOPYRANOSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O11
InChI InChI=1S/C21H22O11/c1-8(23)14-11(25)6-12(26)15(17(14)28)19-20(18(29)16(27)13(7-22)31-19)32-21(30)9-2-4-10(24)5-3-9/h2-6,13,16,18-20,22,24-29H,7H2,1H3/t13-,16-,18+,19+,20-/m0/s1
InChIKey ICMNHOKGFIREHY-RDKOAJKFSA-N
Literature Reference Author Z.ALI,T.ITO,T.TANAKA,K.I.NAKAYA,J.MURATA,D.DARNAEDI,M.IINUMA
Literature Reference Citation PHYTOCHEM.,65,2141(2004)
Literature Reference DOI 10.1016/j.phytochem.2004.06.013
Molecular Weight 450.399 g/mol
Solvent ACETONE-D6
Source File Reference UWVN30017