| SpectraBase Compound ID | G33rgFcd5fm |
|---|---|
| InChI | InChI=1S/C23H34O3/c1-3-4-5-6-7-8-9-10-13-16-19-22(24)20-17-14-11-12-15-18-21-23(25)26-2/h4-5,7-8,10,12-17,19,22,24H,3,6,9,11,18,20-21H2,1-2H3/b5-4+,8-7+,13-10+,15-12+,17-14+,19-16+/t22-/m0/s1 |
| InChIKey | YBCMQRFOERCWAV-MLWOJAHPSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C23H34O3 |
| Exact Mass | 358.250795 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AGYDkyGEhi |
|---|---|
| Name | Methyl 10-hydroxydocosa-4,7,11,13,16,19-hexaenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.250794952 u |
| Formula | C23H34O3 |
| InChI | InChI=1S/C23H34O3/c1-3-4-5-6-7-8-9-10-13-16-19-22(24)20-17-14-11-12-15-18-21-23(25)26-2/h4-5,7-8,10,12-17,19,22,24H,3,6,9,11,18,20-21H2,1-2H3/b5-4+,8-7+,13-10+,15-12+,17-14+,19-16+/t22-/m0/s1 |
| InChIKey | YBCMQRFOERCWAV-MLWOJAHPSA-N |
| Molecular Weight | 358.522 g/mol |
| SMILES | C(=O)(OC)CC\C=C\C\C=C\C[C@](\C=C\C=C\C\C=C\C\C=C\CC)(O)[H] |