| SpectraBase Spectrum ID |
8Af2SUAStxi |
| Name |
D-Glucitol, 1-deoxy-2,3,5,6-tetra-o-methyl-1-(methylphenylamino)-4-o-(2,3,4,6-tetra-o-methyl-.alpha.-D-glucopyranosyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
545.319996707 u |
| Formula |
C27H47NO10 |
| InChI |
InChI=1S/C27H47NO10/c1-28(18-13-11-10-12-14-18)15-19(31-4)22(33-6)24(20(32-5)16-29-2)38-27-26(36-9)25(35-8)23(34-7)21(37-27)17-30-3/h10-14,19-27H,15-17H2,1-9H3/t19-,20+,21+,22+,23+,24+,25-,26+,27+/m0/s1 |
| InChIKey |
WREHDAOOBBKSRZ-QQOIECFUSA-N |
| Molecular Weight |
545.670 g/mol |
| SMILES |
[C@@]1([C@@]([C@@](OC)([C@@]([C@](O1)(COC)[H])(OC)[H])[H])(OC)[H])(O[C@@]([C@@]([C@](CN(C1=CC=CC=C1)C)(OC)[H])(OC)[H])([C@](OC)(COC)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95557 |
