17-Hydroxyazadiradione
Grundinformationen
- CAS
67106-58-5- Standard-SMILES
CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@]3(C)C(=CC(=O)[C@@]3(O)c3ccoc3)[C@@]21C- InChIKey
QXKHBVSTPRHRQV-CWUDDJIGSA-N- Summenformel
- C28H34O6
- Durchschnittliche Molmasse
- 466,6 g/mol
- Monoisotopische Masse
- 466,2355388
Überblick
17-hydroxyazadiradione is a limonoid that is azadiradione substituted by a hydroxy group at position 17. It has been isolated from Azadirachta indica. It has a role as an enzyme inhibitor, a metabolite and a plant metabolite. It is a tertiary alpha-hydroxy ketone, a member of furans, a tertiary alcohol, a tetracyclic triterpenoid, a cyclic terpene ketone, a limonoid and an acetate ester. It is functionally related to an azadiradione.
Namen und Bezeichner
- Bevorzugter Name
- 17-Hydroxyazadiradione
- IUPAC
- [(5R,7R,8R,9R,10R,13R,17S)-17-(furan-3-yl)-17-hydroxy-4,4,8,10,13-pentamethyl-3,16-dioxo-5,6,7,9,11,12-hexahydrocyclopenta[a]phenanthren-7-yl] acetate
- Englischer Name
- 17-hydroxyazadiradione
- Summenformel
- C28H34O6
- Molmasse
- 466.57
Namen und Synonyme
17-Hydroxyazadiradione17beta-hydroxyazadiradioneCHEBI:67284(5alpha,7alpha,13alpha,17beta)-17-(furan-3-yl)-17-hydroxy-4,4,8-trimethyl-3,16-dioxoandrosta-1,14-dien-7-yl acetate((5R,7R,8R,9R,10R,13R,17S)-17-(furan-3-yl)-17-hydroxy-4,4,8,10,13-pentamethyl-3,16-dioxo-5,6,7,9,11,12-hexahydrocyclopenta(a)phenanthren-7-yl) acetate[(5R,7R,8R,9R,10R,13R,17S)-17-(furan-3-yl)-17-hydroxy-4,4,8,10,13-pentamethyl-3,16-dioxo-5,6,7,9,11,12-hexahydrocyclopenta[a]phenanthren-7-yl] acetate17b-HydroxyazadiradioneRefChem:7920367106-58-5CHEMBL1774390SCHEMBL41764525DTXSID801314468
Weitere Namen anzeigen
17β-Hydroxyazadiradione24-Norchola-1,14,20,22-tetraene-3,16-dione, 7-(acetyloxy)-21,23-epoxy-17-hydroxy-4,4,8-trimethyl-, (5α,7α,13α,17α)-
Q2713574317alpha-(Furan-3-yl)-17beta-hydroxy-4,4,8-trimethyl-3,16-dioxo-5alpha,13alpha-androsta-1,14-dien-7alpha-yl acetate
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,9
- Polarare Oberfläche (TPSA)
- 93,8 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 34
- Formalladung
- 0
- Komplexität
- 1.020
Physikochemische Eigenschaften
- Schmelzpunkt
- 148 · 148-150°C
- Siedepunkt
- 587.4 · 587.4±50.0 °C(Predicted)
- Dichte
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 11.51 · 11.51±0.70(Predicted)
- Aggregatzustand
- Solid
- Farbe
- Pale Yellow
Chemie und Industrie
Anwendungen
Verwenden17β-Hydroxyazadiradione, is a metabolite of Azadiradione (A797343). 17β-Hydroxyazadiradione, is a limonoid that isazadiradionesubstituted by ahydroxygroup at position 17. It has been isolated from Azadirachta indica. It has a role as a metabolite, a plant metabolite and an enzyme inhibitor.
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…