| SpectraBase Spectrum ID |
JsXr8275piH |
| Name |
N-[4-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-methyl-tetrahydropyran-2-yl]oxybenzyl]thiocarbamic acid o-propyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.140258697 u |
| Formula |
C17H25NO6S |
| InChI |
InChI=1S/C17H25NO6S/c1-3-8-22-17(25)18-9-11-4-6-12(7-5-11)24-16-15(21)14(20)13(19)10(2)23-16/h4-7,10,13-16,19-21H,3,8-9H2,1-2H3,(H,18,25)/t10-,13-,14+,15+,16-/m0/s1 |
| InChIKey |
ULONYMOWJBZEOE-JMWBNMSQSA-N |
| Molecular Weight |
371.448 g/mol |
| SMILES |
[C@]1([C@@]([C@](O)([C@]([C@@](O1)(C)[H])(O)[H])[H])(O)[H])(OC=1C=CC(CNC(=S)OCCC)=CC1)[H] |
![N-[4-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-methyl-tetrahydropyran-2-yl]oxybenzyl]thiocarbamic acid o-propyl ester](/api/spectrum/JsXr8275piH/structure.png?h=300&w=458 "N-[4-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-methyl-tetrahydropyran-2-yl]oxybenzyl]thiocarbamic acid o-propyl ester")
