| SpectraBase Compound ID | HJLvuroLYKr |
|---|---|
| InChI | InChI=1S/C21H23NO6/c1-11(23)22-16-8-6-12-10-17(26-2)19(27-3)20(28-4)18(12)14-7-5-13(21(24)25)9-15(14)16/h5,7,9-10,16H,6,8H2,1-4H3,(H,22,23)(H,24,25) |
| InChIKey | ZAIRUODZMPTJLF-UHFFFAOYSA-N |
| Mol Weight | 385.42 g/mol |
| Molecular Formula | C21H23NO6 |
| Exact Mass | 385.152537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5gcKy4jopGx |
|---|---|
| Name | Allocolchicein |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.152537459 u |
| Formula | C21H23NO6 |
| InChI | InChI=1S/C21H23NO6/c1-11(23)22-16-8-6-12-10-17(26-2)19(27-3)20(28-4)18(12)14-7-5-13(21(24)25)9-15(14)16/h5,7,9-10,16H,6,8H2,1-4H3,(H,22,23)(H,24,25) |
| InChIKey | ZAIRUODZMPTJLF-UHFFFAOYSA-N |
| Molecular Weight | 385.416 g/mol |
| SMILES | C1(=C(C=C2C(=C1OC)C1=C(C=C(C(O)=O)C=C1)C(CC2)NC(C)=O)OC)OC |