4-Pregnen-20-alpha-ol-3-one
- Product Name4-Pregnen-20-alpha-ol-3-one
- CAS145-14-2
- MFC21H32O2
- MW316.48
- EINECS205-649-5
- MOL File145-14-2.mol
Chemical Properties
| Melting point | 171-172 °C |
| Boiling point | 451.7±14.0 °C(Predicted) |
| Density | 1.13 g/cm3 |
| storage temp. | Refrigerator |
| solubility | Chloroform (Slightly), Ethanol (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 15.05±0.20(Predicted) |
| color | White to Off-White |
| InChI | InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12-13,16-19,22H,4-11H2,1-3H3/t13-,16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey | RWBRUCCWZPSBFC-RXRZZTMXSA-N |
| SMILES | C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H]([C@@H](O)C)CC3)CC2 |
