| SpectraBase Spectrum ID |
6bFwsV9KWbB |
| Name |
(E)-1-(5-methylthio-3-oxo-undecyl)disulfanylundec-4-en-3-one |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H42O2S3 |
| InChI |
InChI=1S/C23H42O2S3/c1-4-6-8-10-11-12-14-21(24)16-18-27-28-19-17-22(25)20-23(26-3)15-13-9-7-5-2/h12,14,23H,4-11,13,15-20H2,1-3H3/b14-12+ |
| InChIKey |
VZTYCWVDBHNTNB-WYMLVPIESA-N |
| Instrument Name |
Thermo Electron Corporation DSQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/acs.jnatprod.5b01031 |
| Molecular Weight |
446.767 g/mol |
| Optical Rotation |
[a]D20 = +2.0 (c = 0.10, CHCl3) |
| Reported Formula |
C23H42O2S3 |
| SMILES |
C(CCCC\C=C\C(CCSSCCC(CC(CCCCCC)SC)=O)=O)C |
| SPLASH |
splash10-0671-4930000000-1ccbfbded87fe03d496e |
| Source of Spectrum |
G4-79-588-6 |
| Wiley ID |
1849262 |
