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SMILASIDE_F;1,3-DI-PARA-COUMAROYL-6-FERULOYL-2',6'-DIACETYL_SUCROSE

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SMILASIDE_F;1,3-DI-PARA-COUMAROYL-6-FERULOYL-2',6'-DIACETYL_SUCROSE
SpectraBase Compound ID GeV9YADGcek
InChI InChI=1S/C44H46O20/c1-24(45)57-21-33-38(53)40(55)41(60-25(2)46)43(61-33)64-44(23-59-36(51)17-9-26-4-12-29(47)13-5-26)42(62-37(52)19-10-27-6-14-30(48)15-7-27)39(54)34(63-44)22-58-35(50)18-11-28-8-16-31(49)32(20-28)56-3/h4-20,33-34,38-43,47-49,53-55H,21-23H2,1-3H3/b17-9+,18-11+,19-10+/t33-,34-,38-,39-,40+,41-,42+,43-,44+/m0/s1
InChIKey QHZJEIGSGZHOHS-SVOIUKNVSA-N
Mol Weight 894.8 g/mol
Molecular Formula C44H46O20
Exact Mass 894.258244 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1DC9OLJr45v
Name SMILASIDE_F;1,3-DI-PARA-COUMAROYL-6-FERULOYL-2',6'-DIACETYL_SUCROSE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H46O20
InChI InChI=1S/C44H46O20/c1-24(45)57-21-33-38(53)40(55)41(60-25(2)46)43(61-33)64-44(23-59-36(51)17-9-26-4-12-29(47)13-5-26)42(62-37(52)19-10-27-6-14-30(48)15-7-27)39(54)34(63-44)22-58-35(50)18-11-28-8-16-31(49)32(20-28)56-3/h4-20,33-34,38-43,47-49,53-55H,21-23H2,1-3H3/b17-9+,18-11+,19-10+/t33-,34-,38-,39-,40+,41-,42+,43-,44+/m0/s1
InChIKey QHZJEIGSGZHOHS-SVOIUKNVSA-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 894.837 g/mol
Solvent CDCl3
Source File Reference UWMZ13196