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TETRA-O-ACETYL-7-C-(N-ETHYLACETAMIDO)-(-)-EPICATECHIN
SpectraBase Compound ID JOlIQl6UzCi
InChI InChI=1S/C27H29NO10/c1-7-28(14(2)29)20-11-23(35-16(4)31)21-13-26(37-18(6)33)27(38-24(21)12-20)19-8-9-22(34-15(3)30)25(10-19)36-17(5)32/h8-12,26-27H,7,13H2,1-6H3/t26-,27-/m1/s1
InChIKey MFSQZOYLKLZSOL-KAYWLYCHSA-N
Mol Weight 527.53 g/mol
Molecular Formula C27H29NO10
Exact Mass 527.179146 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 67BIsmIzjs1
Name TETRA-O-ACETYL-7-C-(N-ETHYLACETAMIDO)-(-)-EPICATECHIN
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H29NO10
InChI InChI=1S/C27H29NO10/c1-7-28(14(2)29)20-11-23(35-16(4)31)21-13-26(37-18(6)33)27(38-24(21)12-20)19-8-9-22(34-15(3)30)25(10-19)36-17(5)32/h8-12,26-27H,7,13H2,1-6H3/t26-,27-/m1/s1
InChIKey MFSQZOYLKLZSOL-KAYWLYCHSA-N
Literature Reference Author T.ANAN,K.SAKATA,A.YAGI,H.KATO
Literature Reference Citation AGR.BIOL.CHEM.,51,3395(1987)
Literature Reference DOI 10.1271/bbb1961.51.3395
Molecular Weight 527.528 g/mol
Solvent CDCl3
Source File Reference UWBT8172