| SpectraBase Spectrum ID |
LCLwwLPxkqo |
| Name |
4(E),7(Z),10(Z),13(Z),16(Z),19(Z)-Docosahexaenoate |
| CAS Registry Number |
875288-77-0 |
| Classification |
Fatty esters; Fatty acid methyl esters |
| Copyright |
Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
342.255880333 u |
| Formula |
C23H34O2 |
| InChI |
InChI=1S/C23H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h4-5,7-8,10-11,13-14,16-17,19-20H,3,6,9,12,15,18,21-22H2,1-2H3/b5-4-,8-7-,11-10-,14-13-,17-16-,20-19+ |
| InChIKey |
VCDLWFYODNTQOT-UFDDNHIKSA-N |
| Molecular Weight |
342.523 g/mol |
| Number of Peaks |
268 |
| RI2 |
2438 |
| RI4 |
2660 |
| RI5 |
2132 |
| SMILES |
C(CC\C=C\C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(=O)OC |
| SPLASH |
splash10-002f-9600000000-06d8a649fc3eadf149db |
| Sample Comments |
RI1: measured on Equity-1 (Alkanes)
RI2: measured on Supelcowax-10 (FAMEs)
RI3: measured on Supelcowax-10 (FAEEs)
RI4: measured on SLB-5ms (Alkanes)
RI5: measured on SLB-5ms (FAMEs) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
4,7,10,13,16,19-Docosahexaenoic acid, methyl ester, (4E,7Z,10Z,13Z,16Z,19Z)-
Me. C22:6n3 |
| Wiley ID |
LM_LIPIDS2016_226 |
