| SpectraBase Spectrum ID |
7EJWWSj9bn2 |
| Name |
Methyl 5-hydroxy-8-((2-methoxycarbonyl-2-(trifluorocarbonylamino)ethyl)thio)eicosan-7(E),9(E),11(E),14(Z)-tetraenonate |
| Alternate Name(s) |
Methyl (7Z,9E,11E,14Z)-5-hydroxy-8-({3-methoxy-3-oxo-2-[(trifluoroacetyl)amino]propyl}sulfanyl)-7,9,11,14-icosatetraenoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H40F3NO6S |
| InChI |
InChI=1S/C27H40F3NO6S/c1-4-5-6-7-8-9-10-11-12-13-16-22(19-18-21(32)15-14-17-24(33)36-2)38-20-23(25(34)37-3)31-26(35)27(28,29)30/h8-9,11-13,16,19,21,23,32H,4-7,10,14-15,17-18,20H2,1-3H3,(H,31,35)/b9-8-,12-11+,16-13+,22-19- |
| InChIKey |
IDVICFZMVBFFFL-ZUMDJFMPSA-N |
| Molecular Weight |
563.673 g/mol |
| SMILES |
N(C(CS\C(=C/CC(O)CCCC(=O)OC)\C=C\C=C\C\C=C/CCCCC)C(=O)OC)C(C(F)(F)F)=O |
| SPLASH |
splash10-0159-0900000000-dfbe72f653bcc4ab7ac6 |
| Source of Spectrum |
B3-0-218-0 |
| Wiley ID |
1407028 |
