| Melting point |
161-162° |
| Boiling point |
416.25°C (rough estimate) |
| Density |
1.1236 (rough estimate) |
| refractive index |
-34 ° (C=1, Dioxane) |
| storage temp. |
2-8°C |
| solubility |
Practically insoluble in water, freely soluble in methylene chloride, soluble in alcohol. |
| form |
Solid |
| color |
Crystals from Me2CO/hexane |
| Water Solubility |
3.162mg/L(10 ºC) |
| Merck |
14,6697 |
| Major Application |
pharmaceutical small molecule |
| InChI |
InChI=1/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/s3 |
| InChIKey |
IMONTRJLAWHYGT-ZCPXKWAGSA-N |
| SMILES |
C[C@]12CC[C@]3([H])[C@@]4([H])CCC(=O)C=C4CC[C@@]3([H])[C@]1([H])CC[C@]2(C#C)OC(=O)C |&1:1,4,6,16,18,22,r| |
| CAS DataBase Reference |
51-98-9(CAS DataBase Reference) |
| NIST Chemistry Reference |
Norethindrone acetate(51-98-9) |
