| SpectraBase Compound ID | AdNmIl0uzcc |
|---|---|
| InChI | InChI=1S/C46H43NO6/c48-40(33-52-46(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39)42-43(50-31-34-19-7-1-8-20-34)41(47-44(49)36-23-11-3-12-24-36)45(53-42)51-32-35-21-9-2-10-22-35/h1-30,40-43,45,48H,31-33H2,(H,47,49)/t40?,41-,42-,43-,45-/m1/s1 |
| InChIKey | ITADCFNTBCTMOK-XPBYHIHKSA-N |
| Mol Weight | 705.9 g/mol |
| Molecular Formula | C46H43NO6 |
| Exact Mass | 705.309038 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FCcKeVtuxFa |
|---|---|
| Name | Benzyl 2-benzamido-3-o-benzyl-2-deoxy-6-o-trityl-D-glucofuranoside |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 705.309038103 u |
| Formula | C46H43NO6 |
| InChI | InChI=1S/C46H43NO6/c48-40(33-52-46(37-25-13-4-14-26-37,38-27-15-5-16-28-38)39-29-17-6-18-30-39)42-43(50-31-34-19-7-1-8-20-34)41(47-44(49)36-23-11-3-12-24-36)45(53-42)51-32-35-21-9-2-10-22-35/h1-30,40-43,45,48H,31-33H2,(H,47,49)/t40?,41-,42-,43-,45-/m1/s1 |
| InChIKey | ITADCFNTBCTMOK-XPBYHIHKSA-N |
| Molecular Weight | 705.851 g/mol |
| SMILES | [C@@]1([C@]([C@@](C(COC(C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)O)(O[C@]1(OCC1=CC=CC=C1)[H])[H])(OCC1=CC=CC=C1)[H])(NC(=O)C=1C=CC=CC1)[H] |