| SpectraBase Compound ID | FCn4VlvZw1u |
|---|---|
| InChI | InChI=1S/C23H22O7/c1-7-11(2)17-10-18(28-15(6)25)13(4)21-22(17)29-19-9-16(27-14(5)24)8-12(3)20(19)23(26)30-21/h7-10H,1-6H3/b11-7+ |
| InChIKey | HRZMUQNTSNLXKI-YRNVUSSQSA-N |
| Mol Weight | 410.42 g/mol |
| Molecular Formula | C23H22O7 |
| Exact Mass | 410.136553 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GXSiBofeBn8 |
|---|---|
| Name | Unguinol, 2ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.136553041 u |
| Formula | C23H22O7 |
| InChI | InChI=1S/C23H22O7/c1-7-11(2)17-10-18(28-15(6)25)13(4)21-22(17)29-19-9-16(27-14(5)24)8-12(3)20(19)23(26)30-21/h7-10H,1-6H3/b11-7+ |
| InChIKey | HRZMUQNTSNLXKI-YRNVUSSQSA-N |
| Molecular Weight | 410.422 g/mol |
| SMILES | CC(=O)OC=1C=C2OC3=C(\C(C)=C\C)C=C(C(C)=C3OC(=O)C2=C(C)C1)OC(C)=O |