| SpectraBase Spectrum ID |
CeDGHtzDZ44 |
| Name |
(2S,3S,4R)-2-Acetamino-1,3,4-triacetoxy-8,9-di(methylthio)-octadecane |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
577.310695327 u |
| Formula |
C28H51NO7S2 |
| InChI |
InChI=1S/C28H51NO7S2/c1-8-9-10-11-12-13-14-17-26(37-6)27(38-7)18-15-16-25(35-22(4)32)28(36-23(5)33)24(29-20(2)30)19-34-21(3)31/h24-28H,8-19H2,1-7H3,(H,29,30)/t24-,25+,26?,27?,28-/m0/s1 |
| InChIKey |
SDTYLTHFMAQTSU-AUTUJSJQSA-N |
| Molecular Weight |
577.836 g/mol |
| SMILES |
[C@@]([C@@](NC(=O)C)(COC(=O)C)[H])([C@](OC(=O)C)(CCCC(C(SC)CCCCCCCCC)SC)[H])(OC(=O)C)[H] |
