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3-HYDROXY-2-METHYL-4-H-PYRAN-4-ONE-3-O-(6-O-CAFFEOYL)-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID HqiP8lG4ua
InChI InChI=1S/C21H22O11/c1-10-20(13(23)6-7-29-10)32-21-19(28)18(27)17(26)15(31-21)9-30-16(25)5-3-11-2-4-12(22)14(24)8-11/h2-8,15,17-19,21-22,24,26-28H,9H2,1H3/b5-3+/t15-,17-,18+,19-,21+/m0/s1
InChIKey URXYLWUHWCEKIU-KKZSUNKOSA-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 BtXz2O2ai8q
Name 3-HYDROXY-2-METHYL-4-H-PYRAN-4-ONE-3-O-(6-O-CAFFEOYL)-BETA-D-GLUCOPYRANOSIDE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O11
InChI InChI=1S/C21H22O11/c1-10-20(13(23)6-7-29-10)32-21-19(28)18(27)17(26)15(31-21)9-30-16(25)5-3-11-2-4-12(22)14(24)8-11/h2-8,15,17-19,21-22,24,26-28H,9H2,1H3/b5-3+/t15-,17-,18+,19-,21+/m0/s1
InChIKey URXYLWUHWCEKIU-KKZSUNKOSA-N
Literature Reference Author Y.SHIKISHIMA,Y.TAKAISHI,G.HONDA,M.ITO,Y.TAKEDA,O.K.KODZHIMAT OV,O.ASHURMETOV
Literature Reference Citation PHYTOCHEM.,57,135(2001)
Literature Reference DOI 10.1016/S0031-9422(00)00407-6
Molecular Weight 450.399 g/mol
Solvent CD3OD
Source File Reference UWVN2142