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GALLOCATECHIN-(4-ALPHA->2)-PHLOROGLUCINOL-OCTA-O-METHYLETHER-3-O-ACETATE
SpectraBase Compound ID JZ3sbyyQkEm
InChI InChI=1S/C31H36O11/c1-16(32)41-31-28(26-20(35-4)12-18(33-2)13-21(26)36-5)27-22(37-6)14-19(34-3)15-23(27)42-29(31)17-10-24(38-7)30(40-9)25(11-17)39-8/h10-15,28-29,31H,1-9H3/t28-,29-,31+/m1/s1
InChIKey LIAUUBIOACSWIH-XQKNLLDYSA-N
Mol Weight 584.6 g/mol
Molecular Formula C31H36O11
Exact Mass 584.225762 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5IkZoO2E0uX
Name GALLOCATECHIN-(4-ALPHA->2)-PHLOROGLUCINOL-OCTA-O-METHYLETHER-3-O-ACETATE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36O11
InChI InChI=1S/C31H36O11/c1-16(32)41-31-28(26-20(35-4)12-18(33-2)13-21(26)36-5)27-22(37-6)14-19(34-3)15-23(27)42-29(31)17-10-24(38-7)30(40-9)25(11-17)39-8/h10-15,28-29,31H,1-9H3/t28-,29-,31+/m1/s1
InChIKey LIAUUBIOACSWIH-XQKNLLDYSA-N
Literature Reference Author P.J.STEYNBERG,J.P.STEYNBERG,R.W.HEMINGWAY,D.FERREIRA,G.W.MCG RAW
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2395(1997)
Literature Reference DOI 10.1039/a700889i
Molecular Weight 584.620 g/mol
Solvent CDCl3