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beta-D-glucopyranoside, 4-cyclopentyl-5-phenyl-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, 4-cyclopentyl-5-phenyl-4H-1,2,4-triazol-3-yl 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate
SpectraBase Compound ID B1foufMjliT
InChI InChI=1S/C27H34N4O8S/c1-15(32)28-22-24(38-18(4)35)23(37-17(3)34)21(14-36-16(2)33)39-26(22)40-27-30-29-25(19-10-6-5-7-11-19)31(27)20-12-8-9-13-20/h5-7,10-11,20-24,26H,8-9,12-14H2,1-4H3,(H,28,32)
InChIKey UXKUGZQSJSOUCD-UHFFFAOYSA-N
Mol Weight 574.6 g/mol
Molecular Formula C27H34N4O8S
Exact Mass 574.209735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JLWKCyfCCbP
Name beta-D-Glucopyranoside, 4-cyclopentyl-5-phenyl-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 574.209735237 u
Formula C27H34N4O8S
InChI InChI=1S/C27H34N4O8S/c1-15(32)28-22-24(38-18(4)35)23(37-17(3)34)21(14-36-16(2)33)39-26(22)40-27-30-29-25(19-10-6-5-7-11-19)31(27)20-12-8-9-13-20/h5-7,10-11,20-24,26H,8-9,12-14H2,1-4H3,(H,28,32)
InChIKey UXKUGZQSJSOUCD-UHFFFAOYSA-N
Molecular Weight 574.649 g/mol
SMILES N(C1C(SC=2N(C(C3=CC=CC=C3)=NN2)C2CCCC2)OC(C(OC(=O)C)C1OC(=O)C)COC(=O)C)C(=O)C