Allopregnan-3alpha-ol-20-one acetate
Grundinformationen
- CAS
6003-24-3- Standard-SMILES
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@H]32)C1- InChIKey
GFHOQCXDABGYAL-MHFBBLOWSA-N- Summenformel
- C23H36O3
- Durchschnittliche Molmasse
- 360,5 g/mol
- Monoisotopische Masse
- 360,26644501
Namen und Bezeichner
- Bevorzugter Name
- Allopregnan-3alpha-ol-20-one acetate
- IUPAC
- [(3R,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Namen und Synonyme
Allopregnan-3alpha-ol-20-one acetateUNII-0G0M7A1R8J0G0M7A1R8J3alpha-Hydroxy-5alpha-pregnan-20-one acetate6003-24-3Pregnan-20-one, 3-(acetyloxy)-, (3alpha,5alpha)-Pregnan-20-one, 3-(acetyloxy)-, (3.alpha.,5.alpha.)-ALLOPREGNAN-3.ALPHA.-OL-20-ONE ACETATE3.ALPHA.-HYDROXY-5.ALPHA.-PREGNAN-20-ONE ACETATE((3R,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-3-yl) acetate[(3R,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetateRefChem:110820
Weitere Namen anzeigen
SCHEMBL2981376CHEMBL3137758GFHOQCXDABGYAL-MHFBBLOWSA-N3alpha-acetoxy-5alpha-pregnan-20-one(3alpha,5alpha)-3-(acetyloxy)pregnan-20-oneQ27236727
Datenbank-Bezeichner
- CAS
6003-24-3- PubChem CID
- 53835422
- ChEMBL
CHEMBL3137758- UNII
- 0G0M7A1R8J
- Nikkaji
- J322.222E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,4
- Polarare Oberfläche (TPSA)
- 43,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 598
Zugehörige Reaktionen
10
Notizen zur Verbindung
Wird geladen…