3β-Hydroxy-5α-pregn-16-en-11,20-dion-3-acetat
3beta-Hydroxy-5alpha-pregn-16-ene-11,20-dione 3-acetate
Grundinformationen
- CAS
2724-68-7- Standard-SMILES
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@]2(C)C(C(C)=O)=CC[C@@H]32)C1- InChIKey
JAZBMNIJZWDVQJ-BLDHYFSKSA-N- Summenformel
- C23H32O4
- Durchschnittliche Molmasse
- 372,5 g/mol
- Monoisotopische Masse
- 372,2300595
Namen und Bezeichner
- Bevorzugter Name
- 3beta-Hydroxy-5alpha-pregn-16-ene-11,20-dione 3-acetate
- IUPAC
- [(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
- Lokaler Name
- 3β-Hydroxy-5α-pregn-16-en-11,20-dion-3-acetat
- Englischer Name
- 3beta-hydroxy-5alpha-pregn-16-ene-11,20-dione 3-acetate
- Summenformel
- C23H32O4
- Molmasse
- 372.5
Namen und Synonyme
2724-68-73beta-Hydroxy-5alpha-pregn-16-ene-11,20-dione 3-acetateZY6HAL93D4NSC-18291NSC-73108[(3S,5S,8S,9S,10S,13S,14S)-17-acetyl-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate3beta-acetoxy-5alpha-pregn-16-ene-11,20-dione((3S,5S,8S,9S,10S,13S,14S)-17-ACETYL-10,13-DIMETHYL-11-OXO-1,2,3,4,5,6,7,8,9,12,14,15-DODECAHYDROCYCLOPENTA(A)PHENANTHREN-3-YL) ACETATEEINECS 220-338-4UNII-ZY6HAL93D4JAZBMNIJZWDVQJ-BLDHYFSKSA-NDTXSID401227205
Weitere Namen anzeigen
3b-Acetoxy-5a-pregn-16-ene-11,20-dioneAcetic acid 11,20-dioxo-5α-pregn-16-en-3β-yl esterPregn-16-ene-11,20-dione, 3-(acetyloxy)-, (3β,5α)- (9CI)
NSC18291NSC73108NSC 18291NSC 73108NS0008400611,20-Dioxo-5alpha-pregn-16-en-3beta-yl acetate3.BETA.-ACETOXY-5.ALPHA.-PREGN-16-ENE-11,20-DIONE3-Hydroxy-pregn-16-ene-11,20-dione acetate, (3beta,5alpha)-
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,7
- Polarare Oberfläche (TPSA)
- 60,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 27
- Formalladung
- 0
- Komplexität
- 722
Physikochemische Eigenschaften
- Schmelzpunkt
- 183 · 183-185 °C
- Siedepunkt
- 490.5 · 490.5±45.0 °C(Predicted)
- Dichte
- 1.14 · 1.14±0.1 g/cm3(Predicted)
Zugehörige Reaktionen
2
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