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(17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate
3-hydroxy-16-pregnene-20-one-3-acetate · -Acetyloxypregn-16-en-20-one · 3-Acetyloxypregn-16-en-20-one · 3β-Hydroxypregn-16-en-20-one-3-acetate · (3b,5b)-3-(Acetyloxy)pregn-16-en-20-one · 3β-hydroxypregna-16-en-20-one 3-acetate · (3β,5α)-3-(Acetyloxy)-pregn-16-en-20-one · Pregn-16-en-20-one, 3-(acetyloxy)-, (3β,5α)-
![Molekülstruktur von (17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) acetate](/img/chemical/296383.png)
Identifikatoren & physikalische Daten
| CAS No. | 1169-20-6 |
|---|---|
| Summenformel | C23H34O3 |
| Durchschnittliche Molmasse | 358,5 g/mol |
| SMILES | CC(=O)OC1CCC2(C)C(CCC3C4CC=C(C(C)=O)C4(C)CCC32)C1 |
| InChIKey | YFMSIVMSEGIVCP-UHFFFAOYSA-N |
| PubChem CID | 296383 |
Chemische & physikalische Eigenschaften
| XLogP | 5,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,4 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 26 |
| Formalladung | 0 |
| Komplexität | 650 |
| Schmelzpunkt | 166-168 °C |
| Siedepunkt | 454.705±45.00 °C(Press: 760.00 Torr)(predicted) |
| Dichte | 1.093±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |