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beta-D-glucopyranoside, 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-yl 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate

View entire compound with spectra: 2 NMR

beta-D-glucopyranoside, 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-yl 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate
SpectraBase Compound ID 8ghbH4SVGQZ
InChI InChI=1S/C28H30ClN3O8S/c1-15(33)30-24-26(39-18(4)36)25(38-17(3)35)23(14-37-16(2)34)40-27(24)41-28-31-21-7-5-6-8-22(21)32(28)13-19-9-11-20(29)12-10-19/h5-12,23-27H,13-14H2,1-4H3,(H,30,33)
InChIKey QLRNPLXNBHUTBN-UHFFFAOYSA-N
Mol Weight 604.07 g/mol
Molecular Formula C28H30ClN3O8S
Exact Mass 603.144214 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4a1ba1hFjPi
Name beta-D-Glucopyranoside, 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-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 603.144213804 u
Formula C28H30ClN3O8S
InChI InChI=1S/C28H30ClN3O8S/c1-15(33)30-24-26(39-18(4)36)25(38-17(3)35)23(14-37-16(2)34)40-27(24)41-28-31-21-7-5-6-8-22(21)32(28)13-19-9-11-20(29)12-10-19/h5-12,23-27H,13-14H2,1-4H3,(H,30,33)
InChIKey QLRNPLXNBHUTBN-UHFFFAOYSA-N
Molecular Weight 604.074 g/mol
SMILES N(C1C(SC=2N(C=3C=CC=CC3N2)CC=2C=CC(=CC2)Cl)OC(C(OC(=O)C)C1OC(=O)C)COC(=O)C)C(=O)C