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SMILASIDE_A;3,6-DIFERULOYL-4',6'-DIACETYL_SUCROSE

View entire compound with spectra: 1 NMR

SMILASIDE_A;3,6-DIFERULOYL-4',6'-DIACETYL_SUCROSE
SpectraBase Compound ID 4ceft8FjMCw
InChI InChI=1S/C36H42O19/c1-18(38)49-16-27-33(51-19(2)39)31(45)32(46)35(52-27)55-36(17-37)34(53-29(43)12-8-21-6-10-23(41)25(14-21)48-4)30(44)26(54-36)15-50-28(42)11-7-20-5-9-22(40)24(13-20)47-3/h5-14,26-27,30-35,37,40-41,44-46H,15-17H2,1-4H3/b11-7+,12-8+/t26-,27-,30-,31-,32-,33-,34+,35-,36+/m0/s1
InChIKey ZRDGSDOGCXGCQI-KBRZPCNNSA-N
Mol Weight 778.7 g/mol
Molecular Formula C36H42O19
Exact Mass 778.232029 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID yZ3baCRPQF
Name SMILASIDE_A;3,6-DIFERULOYL-4',6'-DIACETYL_SUCROSE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H42O19
InChI InChI=1S/C36H42O19/c1-18(38)49-16-27-33(51-19(2)39)31(45)32(46)35(52-27)55-36(17-37)34(53-29(43)12-8-21-6-10-23(41)25(14-21)48-4)30(44)26(54-36)15-50-28(42)11-7-20-5-9-22(40)24(13-20)47-3/h5-14,26-27,30-35,37,40-41,44-46H,15-17H2,1-4H3/b11-7+,12-8+/t26-,27-,30-,31-,32-,33-,34+,35-,36+/m0/s1
InChIKey ZRDGSDOGCXGCQI-KBRZPCNNSA-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 778.718 g/mol
Solvent CDCl3
Source File Reference UWMZ13191