| SpectraBase Spectrum ID |
ISjuYsufBm2 |
| Name |
N-(beta-D-Glucopyranosyl)thiosalicylamide, pentaacetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
525.130481856 u |
| Formula |
C23H27NO11S |
| InChI |
InChI=1S/C23H27NO11S/c1-11(25)30-10-18-19(32-13(3)27)20(33-14(4)28)21(34-15(5)29)22(35-18)24-23(36)16-8-6-7-9-17(16)31-12(2)26/h6-9,18-22H,10H2,1-5H3,(H,24,36)/t18-,19-,20+,21-,22-/m1/s1 |
| InChIKey |
ICCLSMKSCBAEQE-QMCAAQAGSA-N |
| Molecular Weight |
525.525 g/mol |
| SMILES |
N([C@]1([C@@]([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])C(C=1C(=CC=CC1)OC(=O)C)=S |
