22562-67-0
| Name | (+)-3-Chloro-4,6-dihydroxy-2-methyl-5-[(2E)-3-methyl-5-[(1S)-1,2β,6β-trimethyl-3-oxocyclohexane-1α-yl]-2-pentenyl]benzaldehyde |
| CAS | 22562-67-0 |
| Molecular Formula | C23H31ClO4 |
| MDL Number | MFCD29037216 |
| Molecular Weight | 406.94 |
| MOL File | 22562-67-0.mol |
Chemical Properties
| Boiling point | 544.8±29.0 °C(Predicted) |
| density | 1.143±0.06 g/cm3(Predicted) |
| storage temp. | -20°C |
| solubility | DMSO: 1mg/mL |
| form | solid |
| pka | 6.31±0.50(Predicted) |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C23H31ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,12,14,16,27-28H,7-11H2,1-5H3/b13-6+/t14-,16+,23+/m1/s1 |
| InChIKey | IJEHYEVNWOYGMS-WGUBEYSISA-N |
| SMILES | C/C(CC[C@]1(C)[C@@H](C)C(CC[C@H]1C)=O)=C\CC2=C(O)C(C=O)=C(C)C(Cl)=C2O |