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EPIAFZELECHIN-(4-BETA->8,2-BETA->O->7)-EPIAFZELECHIN-(4-BETA->8)-3'-DEOXYDRYOPTERIC-ACID
SpectraBase Compound ID H19BSUTMtXc
InChI InChI=1S/C47H38O17/c48-21-7-1-18(2-8-21)42-40(58)25(15-32(56)57)33-27(53)16-28(54)35(44(33)61-42)38-36-29(55)17-31-37(45(36)62-43(41(38)59)19-3-9-22(49)10-4-19)39-34-26(52)13-24(51)14-30(34)63-47(64-31,46(39)60)20-5-11-23(50)12-6-20/h1-14,16-17,25,38-43,46,48-55,58-60H,15H2,(H,56,57)/t25-,38-,39+,40+,41+,42+,43+,46+,47-/m0/s1
InChIKey FENBOJNMIIQIMX-WBXSQALJSA-N
Mol Weight 874.8 g/mol
Molecular Formula C47H38O17
Exact Mass 874.2109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CSNOVTdYhdK
Name EPIAFZELECHIN-(4-BETA->8,2-BETA->O->7)-EPIAFZELECHIN-(4-BETA->8)-3'-DEOXYDRYOPTERIC-ACID
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C47H38O17
InChI InChI=1S/C47H38O17/c48-21-7-1-18(2-8-21)42-40(58)25(15-32(56)57)33-27(53)16-28(54)35(44(33)61-42)38-36-29(55)17-31-37(45(36)62-43(41(38)59)19-3-9-22(49)10-4-19)39-34-26(52)13-24(51)14-30(34)63-47(64-31,46(39)60)20-5-11-23(50)12-6-20/h1-14,16-17,25,38-43,46,48-55,58-60H,15H2,(H,56,57)/t25-,38-,39+,40+,41+,42+,43+,46+,47-/m0/s1
InChIKey FENBOJNMIIQIMX-WBXSQALJSA-N
Literature Reference Author N.I.BAEK,E.J.KENNELLY,L.B.S.KARNODO,S.TSAURI,K.PADMAWINATA,D .D.SOEJARTO,A.D.KING
Literature Reference Citation PHYTOCHEM.,36,513(1994)
Literature Reference DOI 10.1016/S0031-9422(00)97105-X
Molecular Weight 874.809 g/mol
Solvent ACETONE-D6:D2O=10:1
Source File Reference UWMS25619