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SMILASIDE_C;1-PARA-COUMAROYL-3,6-DIFERULOYL-SUCROSE
SpectraBase Compound ID CQjYbNcDGtd
InChI InChI=1S/C41H44O19/c1-53-28-17-23(5-12-26(28)44)8-15-32(46)55-20-31-36(50)39(58-34(48)16-9-24-6-13-27(45)29(18-24)54-2)41(59-31,60-40-38(52)37(51)35(49)30(19-42)57-40)21-56-33(47)14-7-22-3-10-25(43)11-4-22/h3-18,30-31,35-40,42-45,49-52H,19-21H2,1-2H3/b14-7+,15-8+,16-9+/t30-,31-,35-,36-,37+,38-,39+,40-,41+/m0/s1
InChIKey XPMSXAVTDBNKAT-LXENMWLNSA-N
Mol Weight 840.8 g/mol
Molecular Formula C41H44O19
Exact Mass 840.247679 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Llj5CbUCOq
Name SMILASIDE_C;1-PARA-COUMAROYL-3,6-DIFERULOYL-SUCROSE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H44O19
InChI InChI=1S/C41H44O19/c1-53-28-17-23(5-12-26(28)44)8-15-32(46)55-20-31-36(50)39(58-34(48)16-9-24-6-13-27(45)29(18-24)54-2)41(59-31,60-40-38(52)37(51)35(49)30(19-42)57-40)21-56-33(47)14-7-22-3-10-25(43)11-4-22/h3-18,30-31,35-40,42-45,49-52H,19-21H2,1-2H3/b14-7+,15-8+,16-9+/t30-,31-,35-,36-,37+,38-,39+,40-,41+/m0/s1
InChIKey XPMSXAVTDBNKAT-LXENMWLNSA-N
Literature Reference Author Y.H.KUO,Y.W.HSU,C.C.LIAW,J.K.LEE,H.C.HUANG,L.M.Y.KUO
Literature Reference Citation J.NAT.PROD.,68,1475(2005)
Literature Reference DOI 10.1021/np050109q
Molecular Weight 840.789 g/mol
Solvent CDCl3
Source File Reference UWMZ13193