(3beta,20S)-20-Methyl-pregn-5-ene-3,21-diol 3-Acetate 21-Tosyl
Grundinformationen
- CAS
120664-97-3- Standard-SMILES
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)COS(=O)(=O)c5ccc(C)cc5)[C@@]4(C)CC[C@@H]32)C1- InChIKey
YJIVKCVTWWRTED-CIMDZAPNSA-N- Summenformel
- C31H44O5S
- Durchschnittliche Molmasse
- 528,7 g/mol
Namen und Bezeichner
- Bevorzugter Name
- (3beta,20S)-20-Methyl-pregn-5-ene-3,21-diol 3-Acetate 21-Tosyl
- IUPAC
- [(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[(2S)-1-(4-methylphenyl)sulfonyloxypropan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- Englischer Name
- (3β,20S)-20-Methyl-pregn-5-ene-3,21-diol 3-Acetate 21-Tosyl
- Summenformel
- C31H44O5S
- Molmasse
- 528.75
Namen und Synonyme
120664-97-3(3beta,20S)-20-Methyl-pregn-5-ene-3,21-diol 3-Acetate 21-Tosyl[(3S,8S,9S,10R,13S,14S,17R)-10,13-Dimethyl-17-[(2S)-1-(4-methylphenyl)sulfonyloxypropan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate(3?,20S)-20-Methyl-pregn-5-ene-3,21-diol 3-Acetate 21-(4-Methylbenzenesulfonate)(3β,20S)-20-Methyl-pregn-5-ene-3,21-diol 3-Acetate 21-Tosyl(3β,20S)-20-Methyl-pregn-5-ene-3,21-diol 3-Acetate 21-Tosyl, CAS 120664-97-3Pregn-5-ene-3,21-diol, 20-methyl-, 3-acetate 21-(4-methylbenzenesulfonate), (3β,20S)- (9CI)
Datenbank-Bezeichner
- CAS
120664-97-3
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,5
- Polarare Oberfläche (TPSA)
- 78,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 37
- Formalladung
- 0
- Komplexität
- 990
Physikochemische Eigenschaften
- Schmelzpunkt
- 126 · 126-128 °C(Solvent: Methanol)
- Siedepunkt
- 613.614 · 613.614±38.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.183 · 1.183±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Löslichkeit
- soluble in Dichloromethane, Ether, Ethyl Acetate
- Aggregatzustand
- Solid
- Farbe
- White
Chemie und Industrie
Anwendungen
Verwenden(3β,20S)-20-Methyl-pregn-5-ene-3,21-diol 3-Acetate 21-Tosyl is used in the preparation of potential antiparasitics.
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