SpectraBase Spectrum ID |
9JfxfM7MNmp |
Name |
(3S,Rs)-[3,4-Dihydroxy-6-(p-tolylsulfinyl)methyl-2H-pyran-3-yl]methyl p-toluenesulfonate |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C21H24O5S2 |
InChI |
InChI=1S/C21H24O5S2/c1-16-3-9-20(10-4-16)27(22)15-19-8-7-18(13-25-19)14-26-28(23,24)21-11-5-17(2)6-12-21/h3-6,8-12,18H,7,13-15H2,1-2H3/t18-,27?/m0/s1 |
InChIKey |
JYLBDFGMKHCCFI-HSYKDVHTSA-N |
Molecular Weight |
420.538 g/mol |
SMILES |
c1(S(OC[C@@]2(COC(CS(c3ccc(cc3)C)=O)=CC2)[H])(=O)=O)ccc(cc1)C |
SPLASH |
splash10-0a4i-0900000000-3d97848e7742dd4de25b |
Source of Spectrum |
E1-44-1150-8 |
Wiley ID |
1553413 |