| SpectraBase Spectrum ID |
V8Q94naKdL |
| Name |
5-Methyl-1-(2',3',4'-tri-o-benzoyl-.beta.D-glucopyranosyl)-4-imidazoline-2-thione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
588.156637036 u |
| Formula |
C31H28N2O8S |
| InChI |
InChI=1S/C31H28N2O8S/c1-19-17-32-31(42)33(19)27-26(41-30(37)22-15-9-4-10-16-22)25(40-29(36)21-13-7-3-8-14-21)24(23(18-34)38-27)39-28(35)20-11-5-2-6-12-20/h2-17,23-27,34H,18H2,1H3,(H,32,42)/t23?,24-,25-,26?,27+/m0/s1 |
| InChIKey |
HTYYHQKHCHQXPB-DVVWCFKTSA-N |
| Molecular Weight |
588.631 g/mol |
| SMILES |
[C@@]1(N2C(NC=C2C)=S)(C([C@@](OC(=O)C2=CC=CC=C2)([C@](C(O1)CO)(OC(=O)C1=CC=CC=C1)[H])[H])OC(=O)C1=CC=CC=C1)[H] |
