| SpectraBase Spectrum ID |
GGweb3a6PxD |
| Name |
21-Hydroxyheneicosanoate |
| CAS Registry Number |
94035-98-0 |
| Classification |
Fatty esters; Fatty acid methyl esters |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
356.329045274 u |
| Formula |
C22H44O3 |
| InChI |
InChI=1S/C22H44O3/c1-25-22(24)20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23/h23H,2-21H2,1H3 |
| InChIKey |
YCYYZXLJQNQRSH-UHFFFAOYSA-N |
| Molecular Weight |
356.591 g/mol |
| Number of Peaks |
301 |
| RI4 |
2726 |
| RI5 |
2393 |
| SMILES |
OCCCCCCCCCCCCCCCCCCCCC(=O)OC |
| SPLASH |
splash10-05te-9200000000-b1be6f7a2c02a9eb2889 |
| 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 |
Heneicosanoic acid, 21-hydroxy-, methyl ester
Me. 21-OH C21:0 |
| Wiley ID |
LM_LIPIDS2016_232 |
