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10,13-Dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]oxathiolan]-3-yl acetate
3β-Acetyloxyandrost-5-en-17-one ethylene thioacetal · (17Ξ)-3β-acetoxy-spiro[androst-5-en-17,2'-[1,3]oxathiolane] · Androst-5-en-17-one, 3-(acetyloxy)-, cyclic 17-(1,2-ethanediyl monothioacetal), (3β)-
![Molekülstruktur von 10,13-Dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]oxathiolan]-3-yl acetate](/img/chemical/273639.png)
Identifikatoren & physikalische Daten
| CAS No. | 54498-67-8 |
|---|---|
| Summenformel | C23H34O3S |
| Durchschnittliche Molmasse | 390,6 g/mol |
| Monoisotopische Masse | 390,22286612 g/mol |
| SMILES | CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C3CCC23OCCS3)C1 |
| InChIKey | PVMWNUGBQSMJMG-UHFFFAOYSA-N |
| PubChem CID | 273639 |
| DTXSID | DTXSID20297899 |
Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 60,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 27 |
| Formalladung | 0 |
| Komplexität | 675 |
| Schmelzpunkt | 174-176 °C(Solvent: ChloroformMethanol) |
| Siedepunkt | 500.973±50.00 °C(Press: 760.00 Torr)(predicted) |
| Dichte | 1.176±0.10 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |