| Melting point |
225-228 °C(Solv: methanol (67-56-1); benzene (71-43-2)) |
| Boiling point |
508.5±50.0 °C(Predicted) |
| Density |
1.13±0.1 g/cm3(Predicted) |
| Flash point |
93 °C |
| storage temp. |
2-8°C |
| solubility |
Acetonitrile: 1 mg/ml; Ethanol: 1 mg/ml; Methanol: 1 mg/ml |
| pka |
14.95±0.70(Predicted) |
| form |
White to off-white solid. |
| color |
White to off-white |
| biological source |
synthetic (organic) |
| InChI |
1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1 |
| InChIKey |
VSBHRRMYCDQLJF-ZDNYCOCVSA-N |
| SMILES |
C[C@@]12[C@](C[C@@H](C#N)[C@@H]2C(C)=O)([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC1 |
| EPA Substance Registry System |
Pregn-5-ene-16-carbonitrile, 3-hydroxy-20-oxo-, (3.beta.,16.alpha.)- (1434-54-4) |
