![2-[hydroxy-[2-hydroxy-3-[icosa-5,8,11,14,17-pentaenoyl]oxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium](/api/spectrum/B9FQkwk0loK/structure.png?h=300&w=458 "2-[hydroxy-[2-hydroxy-3-[icosa-5,8,11,14,17-pentaenoyl]oxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium")
| SpectraBase Compound ID | D14wo8iHPxK |
|---|---|
| InChI | InChI=1S/C28H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h6-7,9-10,12-13,15-16,18-19,27,30H,5,8,11,14,17,20-26H2,1-4H3 |
| InChIKey | PDIGSOAOQOXRDU-UHFFFAOYSA-N |
| Mol Weight | 541.7 g/mol |
| Molecular Formula | C28H48NO7P |
| Exact Mass | 541.31684 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | B9FQkwk0loK |
|---|---|
| Name | 2-[hydroxy-[2-hydroxy-3-[icosa-5,8,11,14,17-pentaenoyl]oxy-propoxy]phosphoryl]oxyethyl-trimethyl-ammonium |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H48NO7P |
| InChI | InChI=1S/C28H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h6-7,9-10,12-13,15-16,18-19,27,30H,5,8,11,14,17,20-26H2,1-4H3 |
| InChIKey | PDIGSOAOQOXRDU-UHFFFAOYSA-N |
| Ionization Type | EI |
| Molecular Weight | 541.666 g/mol |
| SMILES | OC(COC(CCCC=CCC=CCC=CCC=CCC=CCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-] |
| SPLASH | splash10-0udl-2900270000-90e681935eb0436881aa |
| Source of Spectrum | CA2644330C |
| Wiley ID | 1844513 |