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3,3',4',5,7-Penta-O-acetyl-6-bromo-catechin
SpectraBase Compound ID EEZky6Lq6G4
InChI InChI=1S/C25H23BrO11/c1-11(27)32-18-7-6-16(8-20(18)33-12(2)28)24-22(35-14(4)30)9-17-19(37-24)10-21(34-13(3)29)23(26)25(17)36-15(5)31/h6-8,10,22,24H,9H2,1-5H3/t22-,24+/m1/s1
InChIKey NWTZAWDPDAYYBI-VWNXMTODSA-N
Mol Weight 579.35 g/mol
Molecular Formula C25H23BrO11
Exact Mass 578.042375 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JuEocgRDpW4
Name 3,3',4',5,7-PENTA-O-ACETYL-6-BROMO-CATECHIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H23BrO11
InChI InChI=1S/C25H23BrO11/c1-11(27)32-18-7-6-16(8-20(18)33-12(2)28)24-22(35-14(4)30)9-17-19(37-24)10-21(34-13(3)29)23(26)25(17)36-15(5)31/h6-8,10,22,24H,9H2,1-5H3/t22-,24+/m1/s1
InChIKey NWTZAWDPDAYYBI-VWNXMTODSA-N
Literature Reference Author E.KIEHLMANN,N.LEHTO,D.CHERNIWCHAN
Literature Reference Citation CAN.J.CHEM.,66,2431(1988)
Literature Reference DOI 10.1139/v88-383
Molecular Weight 579.355 g/mol
Solvent CDCl3
Source File Reference UWED1872