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SMILASIDE_E;1-PARA-COUMAROYL-3,6-DIFERULOYL-6'ACETYL_SUCROSE

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SMILASIDE_E;1-PARA-COUMAROYL-3,6-DIFERULOYL-6'ACETYL_SUCROSE
SpectraBase Compound ID FLk3kGQIsDT
InChI InChI=1S/C43H46O20/c1-23(44)57-20-32-37(51)39(53)40(54)42(60-32)63-43(22-59-35(49)15-8-24-4-11-27(45)12-5-24)41(61-36(50)17-10-26-7-14-29(47)31(19-26)56-3)38(52)33(62-43)21-58-34(48)16-9-25-6-13-28(46)30(18-25)55-2/h4-19,32-33,37-42,45-47,51-54H,20-22H2,1-3H3/b15-8+,16-9+,17-10+/t32-,33-,37-,38-,39+,40-,41+,42-,43+/m0/s1
InChIKey OEURWVSBRKOOJG-JDDZHTTMSA-N
Mol Weight 882.8 g/mol
Molecular Formula C43H46O20
Exact Mass 882.258244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 951tIQqMntR
Name SMILASIDE_E;1-PARA-COUMAROYL-3,6-DIFERULOYL-6'ACETYL_SUCROSE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C43H46O20
InChI InChI=1S/C43H46O20/c1-23(44)57-20-32-37(51)39(53)40(54)42(60-32)63-43(22-59-35(49)15-8-24-4-11-27(45)12-5-24)41(61-36(50)17-10-26-7-14-29(47)31(19-26)56-3)38(52)33(62-43)21-58-34(48)16-9-25-6-13-28(46)30(18-25)55-2/h4-19,32-33,37-42,45-47,51-54H,20-22H2,1-3H3/b15-8+,16-9+,17-10+/t32-,33-,37-,38-,39+,40-,41+,42-,43+/m0/s1
InChIKey OEURWVSBRKOOJG-JDDZHTTMSA-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 882.826 g/mol
Solvent CDCl3
Source File Reference UWMZ13195