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beta-D-glucopyranoside, 5-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate

View entire compound with spectra: 2 NMR

beta-D-glucopyranoside, 5-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate
SpectraBase Compound ID 7VnPVT0lGiI
InChI InChI=1S/C27H36N4O10S/c1-14(32)28-23-25(40-17(4)35)24(39-16(3)34)21(13-38-15(2)33)41-26(23)42-27-30-29-22(31(27)5)11-9-18-8-10-19(36-6)20(12-18)37-7/h8,10,12,21,23-26H,9,11,13H2,1-7H3,(H,28,32)
InChIKey XYKXKKAJJSYDFW-UHFFFAOYSA-N
Mol Weight 608.7 g/mol
Molecular Formula C27H36N4O10S
Exact Mass 608.215215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5sMxU83elnH
Name beta-D-Glucopyranoside, 5-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 608.215214539 u
Formula C27H36N4O10S
InChI InChI=1S/C27H36N4O10S/c1-14(32)28-23-25(40-17(4)35)24(39-16(3)34)21(13-38-15(2)33)41-26(23)42-27-30-29-22(31(27)5)11-9-18-8-10-19(36-6)20(12-18)37-7/h8,10,12,21,23-26H,9,11,13H2,1-7H3,(H,28,32)
InChIKey XYKXKKAJJSYDFW-UHFFFAOYSA-N
Molecular Weight 608.663 g/mol
SMILES N(C1C(SC=2N(C(CCC=3C=C(OC)C(=CC3)OC)=NN2)C)OC(C(OC(=O)C)C1OC(=O)C)COC(=O)C)C(=O)C