| SpectraBase Compound ID | 5LZknAGh8E2 |
|---|---|
| InChI | InChI=1S/C17H28O3/c1-11(2)17(19)9-8-16(5)7-6-12(3)10-14(15(16)17)20-13(4)18/h6,11,14-15,19H,7-10H2,1-5H3/t14-,15+,16-,17+/m0/s1 |
| InChIKey | AKUBRLUPCXXZDM-VVLHAWIVSA-N |
| Mol Weight | 280.41 g/mol |
| Molecular Formula | C17H28O3 |
| Exact Mass | 280.203845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JXPsubbPNEq |
|---|---|
| Name | Jaeskeanadiol, ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.203844759 u |
| Formula | C17H28O3 |
| InChI | InChI=1S/C17H28O3/c1-11(2)17(19)9-8-16(5)7-6-12(3)10-14(15(16)17)20-13(4)18/h6,11,14-15,19H,7-10H2,1-5H3/t14-,15+,16-,17+/m0/s1 |
| InChIKey | AKUBRLUPCXXZDM-VVLHAWIVSA-N |
| SMILES | [C@]12([C@@](CC[C@@]2(CC=C(C)C[C@@]1(OC(=O)C)[H])C)(C(C)C)O)[H] |