| SpectraBase Compound ID | 1PQ5R7BRyp1 |
|---|---|
| InChI | InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+/t17-/m1/s1 |
| InChIKey | KLLGGGQNRTVBSU-YVCRHRKHSA-N |
| Mol Weight | 294.44 g/mol |
| Molecular Formula | C18H30O3 |
| Exact Mass | 294.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AoRMTlwXJ8P |
|---|---|
| Name | (13R)-HYDROXY-OCTADECA-(9Z,11E,15Z)-TRIEN-OIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H30O3 |
| InChI | InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15,17,19H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7-,11-3-,15-12+/t17-/m1/s1 |
| InChIKey | KLLGGGQNRTVBSU-YVCRHRKHSA-N |
| Literature Reference Author | P.WARIDEL,J.L.WOLFENDER,J.B.LACHAVANNE,K.HOSTETTMANN |
| Literature Reference Citation | PHYTOCHEM.,65,945(2004) |
| Literature Reference DOI | 10.1016/j.phytochem.2004.01.018 |
| Molecular Weight | 294.434 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN31260 |