| SpectraBase Compound ID | 1m2SMs4QNAS |
|---|---|
| InChI | InChI=1S/C17H28O5/c1-10(2)14-13(21-11(3)19)8-12(9-18)6-5-7-17(4)16(22-17)15(14)20/h6,10,13-16,18,20H,5,7-9H2,1-4H3/b12-6+ |
| InChIKey | WPJDAJHIAPRNMB-WUXMJOGZSA-N |
| Mol Weight | 312.41 g/mol |
| Molecular Formula | C17H28O5 |
| Exact Mass | 312.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | vSYp89mbBM |
|---|---|
| Name | Pulicanol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.193673997 u |
| Formula | C17H28O5 |
| InChI | InChI=1S/C17H28O5/c1-10(2)14-13(21-11(3)19)8-12(9-18)6-5-7-17(4)16(22-17)15(14)20/h6,10,13-16,18,20H,5,7-9H2,1-4H3/b12-6+ |
| InChIKey | WPJDAJHIAPRNMB-WUXMJOGZSA-N |
| Molecular Weight | 312.406 g/mol |
| SMILES | C1\C=C/(CC(C(C(C2C(C1)(O2)C)O)C(C)C)OC(=O)C)CO |