66-28-4
| Name | STROPHANTHIDIN |
| CAS | 66-28-4 |
| EINECS(EC#) | 200-626-6 |
| Molecular Formula | C23H32O6 |
| MDL Number | MFCD00046266 |
| Molecular Weight | 404.5 |
| MOL File | 66-28-4.mol |
Chemical Properties
| Melting point | 169°C |
| alpha | D25 +43.1° (c = 2.8 in methanol) |
| Boiling point | 446.1°C (rough estimate) |
| density | 1.432±0.06 g/cm3 (20 ºC 760 Torr) |
| refractive index | 1.4593 (estimate) |
| storage temp. | −20°C |
| solubility | ethanol: complete50mg/mL, clear, colorless to yellow |
| form | Solid |
| pka | 13.92±0.70(Predicted) |
| color | White to off-white |
| Optical Rotation | +43.125 (c 2.8, methanol) |
| InChI | 1S/C23H32O6/c1-20-6-3-17-18(4-8-22(27)11-15(25)2-7-21(17,22)13-24)23(20,28)9-5-16(20)14-10-19(26)29-12-14/h10,13,15-18,25,27-28H,2-9,11-12H2,1H3 |
| InChIKey | ODJLBQGVINUMMR-HZXDTFASSA-N |
| SMILES | C([C@]12CC[C@@H](C[C@]1(CC[C@@]1([H])[C@]3(CC[C@H](C4COC(C=4)=O)[C@]3(CC[C@]21[H])C)O)O)O)=O |
Safety Data
| Hazard Codes | T+ |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1/PG 1 |
| WGK Germany | 3 |
| RTECS | FH5425000 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 1 Dermal Acute Tox. 1 Inhalation Acute Tox. 1 Oral |
| Toxicity |