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WILFORDININE-B;1-BETA,2-BETA,5-ALPHA,7-BETA,8-BETA,11-HEXA-ACETOXY-3-ALPHA,15-[2'-HYDROXY-2',3'-DIMETHYL-3'-(3''-CARBOXY-4''-PYRIDYL)-PROPANOIC-AC
SpectraBase Compound ID 7Aw33UybNzc
InChI InChI=1S/C38H47NO19/c1-16-23-11-12-39-13-24(23)32(46)51-14-34(8)25-26(52-18(3)41)30(55-21(6)44)37(15-50-17(2)40)31(56-22(7)45)27(53-19(4)42)29(57-33(47)35(16,9)48)36(10,49)38(37,58-34)28(25)54-20(5)43/h11-13,16,25-31,48-49H,14-15H2,1-10H3/t16?,25-,26-,27+,28-,29+,30-,31+,34+,35?,36+,37-,38+/m1/s1
InChIKey GGYHKBFLZJPIPM-QJBIVILZSA-N
Mol Weight 821.8 g/mol
Molecular Formula C38H47NO19
Exact Mass 821.274228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CH1QITsuUV7
Name WILFORDININE-B;1-BETA,2-BETA,5-ALPHA,7-BETA,8-BETA,11-HEXA-ACETOXY-3-ALPHA,15-[2'-HYDROXY-2',3'-DIMETHYL-3'-(3''-CARBOXY-4''-PYRIDYL)-PROPANOIC-AC
Compound Number 4
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H47NO19
InChI InChI=1S/C38H47NO19/c1-16-23-11-12-39-13-24(23)32(46)51-14-34(8)25-26(52-18(3)41)30(55-21(6)44)37(15-50-17(2)40)31(56-22(7)45)27(53-19(4)42)29(57-33(47)35(16,9)48)36(10,49)38(37,58-34)28(25)54-20(5)43/h11-13,16,25-31,48-49H,14-15H2,1-10H3/t16?,25-,26-,27+,28-,29+,30-,31+,34+,35?,36+,37-,38+/m1/s1
InChIKey GGYHKBFLZJPIPM-QJBIVILZSA-N
Literature Reference Author H.DUAN,Y.TAKAISHI,Y.IMAKURA,Y.JIA,D.LI,L.M.COSENTINO,K.H.LEE
Literature Reference Citation J.NAT.PROD.,63,357(2000)
Literature Reference DOI 10.1021/np990281s
Molecular Weight 821.786 g/mol
Solvent CDCl3
Source File Reference UWRU1821