| SpectraBase Spectrum ID |
I3yYMAWRpsH |
| Name |
Tris(trifluoroacetyl)methyl ester alclofenac glucuronide |
| Alternate Name(s) |
Methyl 1-O-{[4-(allyloxy)-3-chlorophenyl]acetyl}-2,3,4-tris-O-(trifluoroacetyl)hexopyranuronate
[6''-tris(trifluoroacetyl)methyl-glucopyranos-1''-O-acyl]3-chloro-4-(2'-propenyloxy)phenylacetate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H18ClF9O12 |
| InChI |
InChI=1S/C24H18ClF9O12/c1-3-6-41-11-5-4-9(7-10(11)25)8-12(35)42-18-16(46-21(39)24(32,33)34)14(45-20(38)23(29,30)31)13(15(43-18)17(36)40-2)44-19(37)22(26,27)28/h3-5,7,13-16,18H,1,6,8H2,2H3 |
| InChIKey |
MZRMPMQUEUUHRF-UHFFFAOYSA-N |
| Molecular Weight |
704.835 g/mol |
| SMILES |
C1(C(C(C(=O)OC)OC(C1OC(C(F)(F)F)=O)OC(=O)Cc1cc(Cl)c(cc1)OCC=C)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| SPLASH |
splash10-001i-0930000400-33b5421acfda0d54aac0 |
| Source of Spectrum |
KO-17-99-23 |
| Wiley ID |
1415140 |
