| SpectraBase Spectrum ID |
2N2gqsGJSHo |
| Name |
2-o-p-Toluenesulfonyl-1,3,5-tro-ibenzoyl-.alpha.-D-ribose |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
616.140318266 u |
| Formula |
C33H28O10S |
| InChI |
InChI=1S/C33H28O10S/c1-22-17-19-26(20-18-22)44(37,38)43-29-28(41-31(35)24-13-7-3-8-14-24)27(21-39-30(34)23-11-5-2-6-12-23)40-33(29)42-32(36)25-15-9-4-10-16-25/h2-20,27-29,33H,21H2,1H3 |
| InChIKey |
CASWNCMFYNFJCK-UHFFFAOYSA-N |
| Molecular Weight |
616.637 g/mol |
| SMILES |
C1(C(C(COC(C2=CC=CC=C2)=O)OC1OC(C1=CC=CC=C1)=O)OC(C1=CC=CC=C1)=O)OS(C1=CC=C(C=C1)C)(=O)=O |
