| SpectraBase Compound ID | 4nhPtG7aBZF |
|---|---|
| InChI | InChI=1S/C23H31ClO3/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-22(26)20(14-25)18(5)21(24)23(19)27/h8,10,12,14,26-27H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+ |
| InChIKey | MHWOMRMBQGSTFS-JTCWOHKRSA-N |
| Mol Weight | 390.95 g/mol |
| Molecular Formula | C23H31ClO3 |
| Exact Mass | 390.196173 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GgdMLUuaujL |
|---|---|
| Name | Ilicicolin A |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 390.196172555 u |
| Formula | C23H31ClO3 |
| InChI | InChI=1S/C23H31ClO3/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-22(26)20(14-25)18(5)21(24)23(19)27/h8,10,12,14,26-27H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+ |
| InChIKey | MHWOMRMBQGSTFS-JTCWOHKRSA-N |
| Molecular Weight | 390.951 g/mol |
| SMILES | C1(Cl)=C(C)C(=C(O)C(=C1O)C\C=C/(C)CC\C=C/(C)CCC=C(C)C)C=O |