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1-[6'-O-(E)-P-COUMAROYL)-[BETA]-D-GLUCOPYRANOSYL]-OXY-2-PHENOL
SpectraBase Compound ID BGw4Y8fKIev
InChI InChI=1S/C21H22O9/c22-13-8-5-12(6-9-13)7-10-17(24)28-11-16-18(25)19(26)20(27)21(30-16)29-15-4-2-1-3-14(15)23/h1-10,16,18-23,25-27H,11H2/b10-7+/t16-,18-,19+,20-,21-/m1/s1
InChIKey DSPIXRWDTFDAEZ-YMRNWSTISA-N
Mol Weight 418.4 g/mol
Molecular Formula C21H22O9
Exact Mass 418.126382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3ZtDHTzWpOc
Name 1-[6'-O-(E)-P-COUMAROYL)-[BETA]-D-GLUCOPYRANOSYL]-OXY-2-PHENOL
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22O9
InChI InChI=1S/C21H22O9/c22-13-8-5-12(6-9-13)7-10-17(24)28-11-16-18(25)19(26)20(27)21(30-16)29-15-4-2-1-3-14(15)23/h1-10,16,18-23,25-27H,11H2/b10-7+/t16-,18-,19+,20-,21-/m1/s1
InChIKey DSPIXRWDTFDAEZ-YMRNWSTISA-N
Literature Reference Author M.KUMAR,P.RAWAT,M.F.KHAN,A.K.TAMARKAR,A.K.SRIVASTAVA,K.R.ARY A,R.MAURYA
Literature Reference Citation FITOTERAPIA,81,475(2010)
Literature Reference DOI 10.1016/j.fitote.2010.01.011
Molecular Weight 418.400 g/mol
Solvent CD3OD
Source File Reference UWMB1094