| SpectraBase Spectrum ID |
ImaPU4Mvjxb |
| Name |
Methyl 2,3,4-tri-o-acetyl-1-(3-(o-aminophenyl)thioureido)-1-deoxy-beta-D-glucopyranuronate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
483.131150562 u |
| Formula |
C20H25N3O9S |
| InChI |
InChI=1S/C20H25N3O9S/c1-9(24)29-14-15(30-10(2)25)17(19(27)28-4)32-18(16(14)31-11(3)26)23-20(33)22-13-8-6-5-7-12(13)21/h5-8,14-18H,21H2,1-4H3,(H2,22,23,33)/t14-,15?,16-,17+,18-/m1/s1 |
| InChIKey |
OUWRHTAWHPUIHV-AJYUKVHDSA-N |
| Molecular Weight |
483.492 g/mol |
| SMILES |
C1([C@](O[C@]([C@@]([C@@]1(OC(=O)C)[H])(OC(C)=O)[H])(NC(=S)NC1=C(C=CC=C1)N)[H])(C(=O)OC)[H])OC(C)=O |
