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3,3',4',5,7-PENTA-O-METHYL-6-IODO-CATECHIN
SpectraBase Compound ID ESP1wEslhjA
InChI InChI=1S/C20H23IO6/c1-22-13-7-6-11(8-15(13)23-2)19-17(25-4)9-12-14(27-19)10-16(24-3)18(21)20(12)26-5/h6-8,10,17,19H,9H2,1-5H3/t17-,19+/m1/s1
InChIKey GPYMJCHRXOLWOE-MJGOQNOKSA-N
Mol Weight 486.3 g/mol
Molecular Formula C20H23IO6
Exact Mass 486.053933 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I5SFpJFupse
Name 3,3',4',5,7-PENTA-O-METHYL-6-IODO-CATECHIN
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H23IO6
InChI InChI=1S/C20H23IO6/c1-22-13-7-6-11(8-15(13)23-2)19-17(25-4)9-12-14(27-19)10-16(24-3)18(21)20(12)26-5/h6-8,10,17,19H,9H2,1-5H3/t17-,19+/m1/s1
InChIKey GPYMJCHRXOLWOE-MJGOQNOKSA-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 486.304 g/mol
Solvent CDCl3
Source File Reference UWED1858