(S)-Pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-{(RS)-1-[4-((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-pentafluoroethyl-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl)phenyl]ethyl}ester
Grundinformationen
- Standard-SMILES
CC(OC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccc([C@H]2C[C@@]3(C)[C@@H](CC[C@@]3(O)C(F)(F)C(F)(F)F)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1- InChIKey
PQUVNQVTIJSJPU-YZMISKHSSA-N- Summenformel
- C38H46F5NO6
- Durchschnittliche Molmasse
- 707,8 g/mol
Namen und Bezeichner
- Bevorzugter Name
- (S)-Pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-{(RS)-1-[4-((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-pentafluoroethyl-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl)phenyl]ethyl}ester
- IUPAC
- 1-O-tert-butyl 2-O-[1-[4-[(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-(1,1,2,2,2-pentafluoroethyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-11-yl]phenyl]ethyl] (2S)-pyrrolidine-1,2-dicarboxylate
Namen und Synonyme
SCHEMBL12098824PQUVNQVTIJSJPU-YZMISKHSSA-N(S)-Pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-{(RS)-1-[4-((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-pentafluoroethyl-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl)phenyl]ethyl}ester
Datenbank-Bezeichner
- PubChem CID
- 86670524
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 6,4
- Polarare Oberfläche (TPSA)
- 93,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 11
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 50
- Formalladung
- 0
- Komplexität
- 1.440
Zugehörige Reaktionen
1
Notizen zur Verbindung
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