Pregna-4,16-dien-3,20-dion
Bezeichnung:Pregna-4,16-dien-3,20-dion
CAS-Nr1096-38-4
Englisch Name:16-Dehydroprogesterone
CBNumberCB7470879
SummenformelC21H28O2
Molgewicht312.45
MOL-Datei1096-38-4.mol
Synonyma
Pregna-4,16-dien-3,20-dion
Pregna-4,16-dien-3,20-dion physikalisch-chemischer Eigenschaften
Schmelzpunkt | 185-187 °C(lit.) |
Siedepunkt | 461.0±45.0 °C(Predicted) |
Dichte | 1.10±0.1 g/cm3(Predicted) |
storage temp. | 2-8°C |
Löslichkeit | Chloroform (Slightly), DMSO (Slightly, Sonicated), Methanol (Slightly) |
Aggregatzustand | Solid |
Farbe | Off-White to Pale Yellow |
InChI | InChI=1S/C21H28O2/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/h6,12,16,18-19H,4-5,7-11H2,1-3H3/t16-,18-,19-,20-,21+/m0/s1 |
InChIKey | VRRHHTISESGZFN-RKFFNLMFSA-N |
SMILES | C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)C(C(=O)C)=CC3)CC2 |
CAS Datenbank | 1096-38-4(CAS DataBase Reference) |