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PAVETANNIN-A;ENT-EPICATECHIN-(4-ALPHA->8,2-ALPHA->O->7)-CATECHIN
SpectraBase Compound ID LUQtiqyDd0E
InChI InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27?,29?,30+/m0/s1
InChIKey NSEWTSAADLNHNH-XQDFCFEESA-N
Mol Weight 576.51 g/mol
Molecular Formula C30H24O12
Exact Mass 576.126776 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ab994tcfAKS
Name PAVETANNIN-A;ENT-EPICATECHIN-(4-ALPHA->8,2-ALPHA->O->7)-CATECHIN
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H24O12
InChI InChI=1S/C30H24O12/c31-13-7-20(37)24-22(8-13)41-30(12-2-4-16(33)19(36)6-12)29(39)26(24)25-23(42-30)10-17(34)14-9-21(38)27(40-28(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,21,26-27,29,31-39H,9H2/t21-,26-,27?,29?,30+/m0/s1
InChIKey NSEWTSAADLNHNH-XQDFCFEESA-N
Literature Reference Author A.M.BLADE,L.A.PIETERS,V.WRAY,H.KOLODZIEJ,D.A.V.BERGHE,M.CLAE YS,A.J.VLIETINCK
Literature Reference Citation PHYTOCHEM.,30,4129(1991)
Literature Reference DOI 10.1016/0031-9422(91)83480-9
Molecular Weight 576.513 g/mol
Solvent ACETONE-D6
Source File Reference UWLU28701