387-79-1
| Name | 17ALPHA-HYDROXYPREGNENOLONE |
| CAS | 387-79-1 |
| EINECS(EC#) | 206-862-6 |
| Molecular Formula | C21H32O3 |
| MDL Number | MFCD00021129 |
| Molecular Weight | 332.48 |
| MOL File | 387-79-1.mol |
Chemical Properties
| Melting point | 273℃ |
| Fp | 9℃ |
| storage temp. | -20°C |
| solubility | Chloroform (Slightly), DMSO (Slightly, Heated, Sonicated) |
| Boiling point | 478.4±45.0 °C(Predicted) |
| density | 1.15±0.1 g/cm3(Predicted) |
| form | Solid |
| pka | 13.02±0.70(Predicted) |
| color | White to Off-White |
| Major Application | clinical testing clinical testing |
| InChI | InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey | JERGUCIJOXJXHF-TVWVXWENSA-N |
| SMILES | C[C@]12CC[C@]3([H])[C@]4(CC[C@@H](CC4=CC[C@@]3([H])[C@]1([H])CC[C@]2(O)C(=O)C)O)C |
| CAS DataBase Reference | 387-79-1(CAS DataBase Reference) |
Safety Data
| Hazard Codes | F,T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN1230 - class 3 - PG 2 - Methanol |
| WGK Germany | 3 |
| RTECS | TU5548000 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1 |