| SpectraBase Spectrum ID |
31GlBTiVgfT |
| Name |
8,11-Thio-LTB4 - Methyl Ester |
| Alternate Name(s) |
8,11-thio-[leucotriene-b4]- methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O4S |
| InChI |
InChI=1S/C21H32O4S/c1-3-4-5-6-7-8-11-19(23)20-16-15-18(26-20)14-13-17(22)10-9-12-21(24)25-2/h7-8,13-17,19,22-23H,3-6,9-12H2,1-2H3/b8-7-,14-13- |
| InChIKey |
IKZZYLVOLNOFDC-WRKWTSPFSA-N |
| Molecular Weight |
380.543 g/mol |
| SMILES |
OC(\C=C/c1sc(C(O)C\C=C/CCCCC)cc1)CCCC(=O)OC |
| SPLASH |
splash10-004i-0900000000-fd0f66afb795e04d1c28 |
| Source of Spectrum |
D9-4-111-12 |
| Wiley ID |
1546180 |
