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3-O-ACETYL-3',4',5,7-TETRA-O-METHYL-8-IODO-CATECHIN
SpectraBase Compound ID Ay4q8kTu0hO
InChI InChI=1S/C21H23IO7/c1-11(23)28-18-9-13-15(25-3)10-17(27-5)19(22)21(13)29-20(18)12-6-7-14(24-2)16(8-12)26-4/h6-8,10,18,20H,9H2,1-5H3/t18-,20+/m0/s1
InChIKey WJHABWOLEWDEBU-AZUAARDMSA-N
Mol Weight 514.31 g/mol
Molecular Formula C21H23IO7
Exact Mass 514.048848 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1hp5h6aDl7X
Name 3-O-ACETYL-3',4',5,7-TETRA-O-METHYL-8-IODO-CATECHIN
Compound Number 5F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H23IO7
InChI InChI=1S/C21H23IO7/c1-11(23)28-18-9-13-15(25-3)10-17(27-5)19(22)21(13)29-20(18)12-6-7-14(24-2)16(8-12)26-4/h6-8,10,18,20H,9H2,1-5H3/t18-,20+/m0/s1
InChIKey WJHABWOLEWDEBU-AZUAARDMSA-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 514.314 g/mol
Solvent CDCl3
Source File Reference UWED1864