SpectraBase Spectrum ID |
IMdIZvhlkz0 |
Name |
1,2-o-Isopropylidene-3-o-tosyl-5-o-ethoxycarbonyl-D-xylofuranose |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
416.114103518 u |
Formula |
C18H24O9S |
InChI |
InChI=1S/C18H24O9S/c1-5-22-17(19)23-10-13-14(15-16(24-13)26-18(3,4)25-15)27-28(20,21)12-8-6-11(2)7-9-12/h6-9,13-16H,5,10H2,1-4H3/t13-,14+,15-,16?/m1/s1 |
InChIKey |
CHKONDFYROLXIN-IUOOZAAYSA-N |
Molecular Weight |
416.441 g/mol |
SMILES |
C12O[C@](COC(OCC)=O)([C@@]([C@]2(OC(O1)(C)C)[H])(OS(C=1C=CC(=CC1)C)(=O)=O)[H])[H] |