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PYROMECONIC_ACID_6'-CAFFEOYLGLUCOSIDE;6'-CAFFEOYLERIGEROSIDE
SpectraBase Compound ID Dd3WxE8JnhM
InChI InChI=1S/C20H20O11/c21-11-3-1-10(7-13(11)23)2-4-16(24)29-9-15-17(25)18(26)19(27)20(31-15)30-14-8-28-6-5-12(14)22/h1-8,15,17-21,23,25-27H,9H2/b4-2+/t15-,17-,18+,19-,20-/m0/s1
InChIKey CLFSHBHNICRSDA-LURJDZGJSA-N
Mol Weight 436.37 g/mol
Molecular Formula C20H20O11
Exact Mass 436.100561 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5gLHYFdUSnt
Name PYROMECONIC_ACID_6'-CAFFEOYLGLUCOSIDE;6'-CAFFEOYLERIGEROSIDE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H20O11
InChI InChI=1S/C20H20O11/c21-11-3-1-10(7-13(11)23)2-4-16(24)29-9-15-17(25)18(26)19(27)20(31-15)30-14-8-28-6-5-12(14)22/h1-8,15,17-21,23,25-27H,9H2/b4-2+/t15-,17-,18+,19-,20-/m0/s1
InChIKey CLFSHBHNICRSDA-LURJDZGJSA-N
Literature Reference Author E.NALEWAJKO-SIELIWONIUK,J.NAZARUK,E.ANTYPIUK,A.KOJLO
Literature Reference Citation J.PHARM.BIOM.ANAL.,48,579(2008)
Literature Reference DOI 10.1016/j.jpba.2008.05.026
Molecular Weight 436.372 g/mol
Solvent DMSO-D6
Source File Reference UWMZ44287