76746-56-0
| Name | ISOCOLUMBIN |
| CAS | 76746-56-0 |
| Molecular Formula | C20H20O13 |
| MDL Number | MFCD02682934 |
| Molecular Weight | 468.37 |
| MOL File | 76746-56-0.mol |
Chemical Properties
| storage temp. | -20°C |
| solubility | DMSO: 1mg/mL |
| Boiling point | 898.4±65.0 °C(Predicted) |
| density | 1.85±0.1 g/cm3(Predicted) |
| form | solid |
| pka | 7.81±0.25(Predicted) |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChIKey | IGKWMHUOBKCUQU-LTCOOKNTSA-N |
| SMILES | OC1=C(O)C(O)=CC(C(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(C3=CC(O)=C(O)C(O)=C3)=O)OC2)=O)=C1 |