| SpectraBase Compound ID | JzNJwWekOnG |
|---|---|
| InChI | InChI=1S/C24H45NO4/c1-4-5-6-13-16-21(26)17-14-11-9-7-8-10-12-15-18-23(27)25-22(24(28)29)19-20(2)3/h11,14,20-22,26H,4-10,12-13,15-19H2,1-3H3,(H,25,27)(H,28,29)/b14-11+/t21-,22-/m0/s1 |
| InChIKey | LFYBIWUNIDWTTJ-JBVUPVCNSA-N |
| Mol Weight | 411.6 g/mol |
| Molecular Formula | C24H45NO4 |
| Exact Mass | 411.334859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1s320EBkMir |
|---|---|
| Name | 12-(Hydroxy)-cis-9-octadecenoyl-(leucin)N-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 411.334858929 u |
| Formula | C24H45NO4 |
| InChI | InChI=1S/C24H45NO4/c1-4-5-6-13-16-21(26)17-14-11-9-7-8-10-12-15-18-23(27)25-22(24(28)29)19-20(2)3/h11,14,20-22,26H,4-10,12-13,15-19H2,1-3H3,(H,25,27)(H,28,29)/b14-11+/t21-,22-/m0/s1 |
| InChIKey | LFYBIWUNIDWTTJ-JBVUPVCNSA-N |
| Molecular Weight | 411.627 g/mol |
| SMILES | [C@@](C(=O)O)(NC(=O)CCCCCCC\C=C\C[C@@](O)(CCCCCC)[H])(CC(C)C)[H] |