| SpectraBase Compound ID | 3fleLWU63Es |
|---|---|
| InChI | InChI=1S/C22H34O5/c1-2-3-7-12-19(23)14-10-6-11-15-20(24)13-8-4-5-9-16-21(25)17-18-22(26)27/h3-8,10-11,13-14,19-21,23-25H,2,9,12,15-18H2,1H3,(H,26,27)/b5-4+,7-3-,11-6-,13-8+,14-10+/t19-,20?,21-/m1/s1 |
| InChIKey | BJEUDHUMJXKCGB-QKBBNBBSSA-N |
| Mol Weight | 378.5 g/mol |
| Molecular Formula | C22H34O5 |
| Exact Mass | 378.240624 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4sNrb5gdPnZ |
|---|---|
| Name | (4R,17R)-4,11,17-trihydroxydocosa-7,9,13,15,19-pentaenoic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H34O5 |
| InChI | InChI=1S/C22H34O5/c1-2-3-7-12-19(23)14-10-6-11-15-20(24)13-8-4-5-9-16-21(25)17-18-22(26)27/h3-8,10-11,13-14,19-21,23-25H,2,9,12,15-18H2,1H3,(H,26,27)/b5-4+,7-3-,11-6-,13-8+,14-10+/t19-,20?,21-/m1/s1 |
| InChIKey | BJEUDHUMJXKCGB-QKBBNBBSSA-N |
| Instrument Name | GCMS |
| Ionization Type | EI |
| Molecular Weight | 378.509 g/mol |
| SMILES | OC(CC[C@@](CC\C=C\C=C\C(C\C=C/C=C/[C@@](C\C=C/CC)(O)[H])O)(O)[H])=O |
| SPLASH | splash10-0a4r-0019000000-1a4657d0cc55bcfa8c37 |
| Source of Spectrum | AU2005222706B2 |
| Wiley ID | 1870278 |