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PROANTHOCYANIDIN-A-4-PERACETATE;EPICATECHIN-(4-BETA->8,2-BETA->O->7)-ENT-CATECHIN-PERACETATE
SpectraBase Compound ID DtQ8fEkLrIO
InChI InChI=1S/C48H42O21/c1-20(49)58-31-16-38(64-26(7)55)42-39(17-31)68-48(30-11-13-34(60-22(3)51)37(15-30)63-25(6)54)47(66-28(9)57)44(42)43-40(69-48)19-35(61-23(4)52)32-18-41(65-27(8)56)45(67-46(32)43)29-10-12-33(59-21(2)50)36(14-29)62-24(5)53/h10-17,19,41,44-45,47H,18H2,1-9H3/t41-,44-,45+,47+,48-/m1/s1
InChIKey APCARIIVWROBOB-QRNXZKRJSA-N
Mol Weight 954.8 g/mol
Molecular Formula C48H42O21
Exact Mass 954.221858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xOmJaEaii
Name PROANTHOCYANIDIN-A-4-PERACETATE;EPICATECHIN-(4-BETA->8,2-BETA->O->7)-ENT-CATECHIN-PERACETATE
Compound Number 5A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H42O21
InChI InChI=1S/C48H42O21/c1-20(49)58-31-16-38(64-26(7)55)42-39(17-31)68-48(30-11-13-34(60-22(3)51)37(15-30)63-25(6)54)47(66-28(9)57)44(42)43-40(69-48)19-35(61-23(4)52)32-18-41(65-27(8)56)45(67-46(32)43)29-10-12-33(59-21(2)50)36(14-29)62-24(5)53/h10-17,19,41,44-45,47H,18H2,1-9H3/t41-,44-,45+,47+,48-/m1/s1
InChIKey APCARIIVWROBOB-QRNXZKRJSA-N
Literature Reference Author A.M.BALDE,L.A.PIETERS,A.GERGELY,H.KOLODZIEJ,M.CLAEYS,A.J.VLI ETINCK
Literature Reference Citation PHYTOCHEM.,30,337(1991)
Literature Reference DOI 10.1016/0031-9422(91)84150-Q
Molecular Weight 954.849 g/mol
Solvent CDCl3
Source File Reference UWKP6698