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acetic acid [5,7-diacetoxy-2-(3,4-diacetoxyphenyl)chroman-3-yl] ester

View entire compound with spectra: 11 NMR

acetic acid [5,7-diacetoxy-2-(3,4-diacetoxyphenyl)chroman-3-yl] ester
SpectraBase Compound ID 6yfaIqQjZhn
InChI InChI=1S/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3
InChIKey BKYWAYNSDFXIPL-UHFFFAOYSA-N
Mol Weight 500.46 g/mol
Molecular Formula C25H24O11
Exact Mass 500.131862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 61VXCc7TECw
Name 3,3',4',5,7-Penta-O-acetyl-catechin
CAS Registry Number 84282-42-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C25H24O11
InChI InChI=1S/C25H24O11/c1-12(26)31-18-9-21(33-14(3)28)19-11-24(35-16(5)30)25(36-22(19)10-18)17-6-7-20(32-13(2)27)23(8-17)34-15(4)29/h6-10,24-25H,11H2,1-5H3
InChIKey BKYWAYNSDFXIPL-UHFFFAOYSA-N
Literature Reference H. Kolodziej, J. Chem. Soc. Perkin I 219 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3