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HEPTA-O-ACETYL-7-BETA-XYLOPYRANOSYL-EPICATECHIN
SpectraBase Compound ID 1lHi3RKGz1b
InChI InChI=1S/C34H36O17/c1-15(35)43-25-9-8-22(10-28(25)45-17(3)37)31-29(46-18(4)38)13-24-26(44-16(2)36)11-23(12-27(24)51-31)50-34-33(49-21(7)41)32(48-20(6)40)30(14-42-34)47-19(5)39/h8-12,29-34H,13-14H2,1-7H3/t29-,30+,31-,32-,33+,34-/m1/s1
InChIKey SRMJURJLOXIESE-GIUJWDCDSA-N
Mol Weight 716.6 g/mol
Molecular Formula C34H36O17
Exact Mass 716.19525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LBTenlAAN5V
Name HEPTA-O-ACETYL-7-BETA-XYLOPYRANOSYL-EPICATECHIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H36O17
InChI InChI=1S/C34H36O17/c1-15(35)43-25-9-8-22(10-28(25)45-17(3)37)31-29(46-18(4)38)13-24-26(44-16(2)36)11-23(12-27(24)51-31)50-34-33(49-21(7)41)32(48-20(6)40)30(14-42-34)47-19(5)39/h8-12,29-34H,13-14H2,1-7H3/t29-,30+,31-,32-,33+,34-/m1/s1
InChIKey SRMJURJLOXIESE-GIUJWDCDSA-N
Literature Reference Author M.BEKKER,R.BEKKER,V.E.BRANDT
Literature Reference Citation PHYTOCHEM.,67,818(2006)
Literature Reference DOI 10.1016/j.phytochem.2006.01.015
Molecular Weight 716.650 g/mol
Sample ID 66185
Solvent CDCl3