| SpectraBase Spectrum ID |
ChF292Ao1lO |
| Name |
Methyl 2,3-dibenzyl-4,6-di-p-nitrobenzoyl-.alpha.-D-glucoside |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
672.195524466 u |
| Formula |
C35H32N2O12 |
| InChI |
InChI=1S/C35H32N2O12/c1-44-35-32(46-21-24-10-6-3-7-11-24)31(45-20-23-8-4-2-5-9-23)30(49-34(39)26-14-18-28(19-15-26)37(42)43)29(48-35)22-47-33(38)25-12-16-27(17-13-25)36(40)41/h2-19,29-32,35H,20-22H2,1H3/t29-,30+,31-,32-,35-/m0/s1 |
| InChIKey |
XQNYZSGILOCLJX-ZHQSNULCSA-N |
| SMILES |
[C@@]1([C@@](O[C@@]([C@]([C@]1(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H])(OC)[H])(COC(=O)C1=CC=C(C=C1)N(=O)=O)[H])(OC(=O)C1=CC=C(N(=O)=O)C=C1)[H] |
