| SpectraBase Spectrum ID |
18cX2kUDceg |
| Name |
3-(3-Trifluormethylphenyl)-4-(1-thio-.beta.-D-glucopyranosylmethyl)-2,3-dihydrothiazol-2-thione hemiethylacetate |
| Alternate Name(s) |
Ethyl acetate compound with 3-(3-(trifluoromethyl)phenyl)-4-((((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)methyl)thiazole-2(3H)-thione (1:1) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26F3NO7S3 |
| InChI |
InChI=1S/C17H18F3NO5S3.C4H8O2/c18-17(19,20)8-2-1-3-9(4-8)21-10(7-29-16(21)27)6-28-15-14(25)13(24)12(23)11(5-22)26-15;1-3-6-4(2)5/h1-4,7,11-15,22-25H,5-6H2;3H2,1-2H3/t11-,12-,13+,14-,15+;/m1./s1 |
| InChIKey |
JWPKEJPFVYDTLC-DDMCTHKNSA-N |
| Literature Reference DOI |
10.1002_(SICI)1521-3897(200004)342_4_355 |
| Molecular Weight |
557.614 g/mol |
| SMILES |
C(OCC)(=O)C.OC[C@@]1([C@]([C@@]([C@]([C@@](O1)(SCC=1N(c2cc(ccc2)C(F)(F)F)C(SC1)=S)[H])(O)[H])(O)[H])(O)[H])[H] |
| SPLASH |
splash10-00gi-5592200000-8b4295d6b39d9840a687 |
| Source of Spectrum |
JF-342-366-8l |
| Wiley ID |
1766972 |
