| SpectraBase Spectrum ID |
Lap6p7QaTCL |
| Name |
4'-Bromophenyl-1-thio-.beta.-D-glucoside S,S-dioxide, tetraacetate(ester) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
550.014445724 u |
| Formula |
C20H23BrO11S |
| InChI |
InChI=1S/C20H23BrO11S/c1-10(22)28-9-16-17(29-11(2)23)18(30-12(3)24)19(31-13(4)25)20(32-16)33(26,27)15-7-5-14(21)6-8-15/h5-8,16-20H,9H2,1-4H3/t16-,17-,18+,19-,20+/m1/s1 |
| InChIKey |
AKDYQTPJXDMLBA-OBKDMQGPSA-N |
| Molecular Weight |
551.357 g/mol |
| SMILES |
[C@@]1([C@](O[C@]([C@@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(S(=O)(=O)C1=CC=C(C=C1)Br)[H])(COC(=O)C)[H])(OC(C)=O)[H] |
