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beta-D-glucopyranoside, 1-(3-phenoxypropyl)-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-(3-phenoxypropyl)-1H-benzimidazol-2-yl 2-(acetylamino)-2-deoxy-1-thio-, 3,4,6-triacetate
SpectraBase Compound ID L2GeWXgDBjw
InChI InChI=1S/C30H35N3O9S/c1-18(34)31-26-28(41-21(4)37)27(40-20(3)36)25(17-39-19(2)35)42-29(26)43-30-32-23-13-8-9-14-24(23)33(30)15-10-16-38-22-11-6-5-7-12-22/h5-9,11-14,25-29H,10,15-17H2,1-4H3,(H,31,34)
InChIKey ZYWSZCZOSWRDMM-UHFFFAOYSA-N
Mol Weight 613.7 g/mol
Molecular Formula C30H35N3O9S
Exact Mass 613.209401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUD73C5sgQP
Name beta-D-Glucopyranoside, 1-(3-phenoxypropyl)-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 613.209400884 u
Formula C30H35N3O9S
InChI InChI=1S/C30H35N3O9S/c1-18(34)31-26-28(41-21(4)37)27(40-20(3)36)25(17-39-19(2)35)42-29(26)43-30-32-23-13-8-9-14-24(23)33(30)15-10-16-38-22-11-6-5-7-12-22/h5-9,11-14,25-29H,10,15-17H2,1-4H3,(H,31,34)
InChIKey ZYWSZCZOSWRDMM-UHFFFAOYSA-N
Molecular Weight 613.682 g/mol
SMILES N(C1C(SC2=NC=3C=CC=CC3N2CCCOC2=CC=CC=C2)OC(C(OC(=O)C)C1OC(=O)C)COC(=O)C)C(=O)C