77017-20-0
| Name | 16alpha,17,21-trihydroxypregna-1,4,9(11)-triene-3,20-dione 21-acetate |
| CAS | 77017-20-0 |
| EINECS(EC#) | 278-593-2 |
| Molecular Formula | C23H28O6 |
| MDL Number | MFCD12031469 |
| Molecular Weight | 400.47 |
| MOL File | 77017-20-0.mol |
Chemical Properties
| Melting point | 213-215 °C(Solv: acetone (67-64-1); ligroine (8032-32-4)) |
| Boiling point | 576.7±50.0 °C(Predicted) |
| density | 1.31±0.1 g/cm3(Predicted) |
| storage temp. | -10 to -25°C |
| solubility | soluble in Acetone, Dichloromethane |
| pka | 11.92±0.70(Predicted) |
| Water Solubility | 38.72mg/L at 25℃ |
| Major Application | pharmaceutical |
| InChIKey | LUROGHOZLOFASD-LWHZTGECNA-N |
| SMILES | C[C@]12CC=C3[C@]4(C=CC(=O)C=C4CC[C@@]3([H])[C@]1([H])C[C@@H](O)[C@]2(O)C(=O)COC(=O)C)C |&1:1,5,14,16,19,21,r| |
| LogP | 2.26 at 25℃ |
Safety Data
| Symbol(GHS) |    GHS08,GHS07,GHS09 |
| Signal word | Warning |
| Hazard statements | H335-H361-H315-H319-H411 |
| Precautionary statements | P201-P202-P281-P308+P313-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
| WGK Germany | WGK 3 |
| REACH Registrations | Active |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Chronic 2 Eye Irrit. 2 Repr. 2 Skin Irrit. 2 STOT SE 3 |
