6870-94-6
| Name | Pregna-1,4-diene-3,20-dione,11,17-dihydroxy-6-methyl-, (6a,11b)- |
| CAS | 6870-94-6 |
| EINECS(EC#) | 614-710-9 |
| Molecular Formula | C22H30O4 |
| MDL Number | MFCD00271780 |
| Molecular Weight | 358.47 |
| MOL File | 6870-94-6.mol |
Chemical Properties
| Melting point | 222-231℃ |
| Boiling point | 530.3±50.0 °C(Predicted) |
| density | 1.21±0.1 g/cm3(Predicted) |
| solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly, Sonicated) |
| form | Solid |
| pka | 12.86±0.70(Predicted) |
| color | White to Pale Beige |
| Stability: | Hygroscopic |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C22H30O4/c1-12-9-15-16-6-8-22(26,13(2)23)21(16,4)11-18(25)19(15)20(3)7-5-14(24)10-17(12)20/h5,7,10,12,15-16,18-19,25-26H,6,8-9,11H2,1-4H3 |
| InChIKey | UWMKPWKZGHRUQC-UHFFFAOYSA-N |
| SMILES | OC1(C2(C(C3C(C4(C(=CC(=O)C=C4)C(C3)C)C)C(C2)O)CC1)C)C(=O)C |
Safety Data
| Symbol(GHS) |  GHS08 |
| Signal word | Warning |
| Hazard statements | H373-H413 |
| Precautionary statements | P260-P314-P501 |
| WGK Germany | WGK 3 |
| REACH Registrations | Active |
| HS Code | 2937220000 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 4 Oral Repr. 1B |