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[2,3,6-Tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-b-d-galactopyranosyl)-b-d-glucopyranosyl]-diallyl-dithiocarbamate

View entire compound with spectra: 2 NMR

[2,3,6-Tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetyl-b-d-galactopyranosyl)-b-d-glucopyranosyl]-diallyl-dithiocarbamate
SpectraBase Compound ID Lpv13hwnj1g
InChI InChI=1S/C33H45NO17S2/c1-10-12-34(13-11-2)33(52)53-32-30(48-22(9)41)28(46-20(7)39)26(24(50-32)15-43-17(4)36)51-31-29(47-21(8)40)27(45-19(6)38)25(44-18(5)37)23(49-31)14-42-16(3)35/h10-11,23-32H,1-2,12-15H2,3-9H3/t23-,24-,25-,26-,27+,28+,29-,30-,31+,32+/m1/s1
InChIKey ZVKZYUHRMPQXKH-CBUXPLGESA-N
Mol Weight 791.8 g/mol
Molecular Formula C33H45NO17S2
Exact Mass 791.212891 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BpqYV04pXYk
Name [2,3,6-tri-o-Acetyl-4-o-(2,3,4,6-tetra-o-acetyl-B-D-galactopyranosyl)-B-D-glucopyranosyl]-diallyl-dithiocarbamate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 791.212891324 u
Formula C33H45NO17S2
InChI InChI=1S/C33H45NO17S2/c1-10-12-34(13-11-2)33(52)53-32-30(48-22(9)41)28(46-20(7)39)26(24(50-32)15-43-17(4)36)51-31-29(47-21(8)40)27(45-19(6)38)25(44-18(5)37)23(49-31)14-42-16(3)35/h10-11,23-32H,1-2,12-15H2,3-9H3/t23-,24-,25-,26-,27+,28+,29-,30-,31+,32+/m1/s1
InChIKey ZVKZYUHRMPQXKH-CBUXPLGESA-N
Molecular Weight 791.833 g/mol
SMILES [C@]1(O[C@@]2([C@](O[C@]([C@@]([C@]2(OC(C)=O)[H])(OC(=O)C)[H])(SC(N(CC=C)CC=C)=S)[H])(COC(=O)C)[H])[H])(O[C@@]([C@]([C@@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(COC(C)=O)[H])[H]