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(4-BETA-D-GLUCOPYRANOSYLOXY)-3-HYDROXYPHENYL-CAFFEATE
SpectraBase Compound ID AtB3EHkqTXS
InChI InChI=1S/C21H22O11/c22-9-16-18(27)19(28)20(29)21(32-16)31-15-5-3-11(8-14(15)25)30-17(26)6-2-10-1-4-12(23)13(24)7-10/h1-8,16,18-25,27-29H,9H2/b6-2+/t16-,18-,19+,20-,21-/m0/s1
InChIKey NDJVPSMTWRPAND-QKHUEMIUSA-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 5KGijA714Os
Name (4-BETA-D-GLUCOPYRANOSYLOXY)-3-HYDROXYPHENYL-CAFFEATE
Compound Number 2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O11
InChI InChI=1S/C21H22O11/c22-9-16-18(27)19(28)20(29)21(32-16)31-15-5-3-11(8-14(15)25)30-17(26)6-2-10-1-4-12(23)13(24)7-10/h1-8,16,18-25,27-29H,9H2/b6-2+/t16-,18-,19+,20-,21-/m0/s1
InChIKey NDJVPSMTWRPAND-QKHUEMIUSA-N
Literature Reference Author Z.ZHANG,S.LI,S.OWNBY,P.WANG,W.YUAN,W.ZHANG,R.S.BEASLEY
Literature Reference Citation PHYTOCHEM.,69,2070(2008)
Literature Reference DOI 10.1016/j.phytochem.2008.03.020
Molecular Weight 450.399 g/mol
Sample ID 63221
Solvent C5D5N