11Alpha-hydroxyprogesterone 11-glucosiduronic acid
Grundinformationen
- CAS
77710-64-6- Standard-SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C- InChIKey
WVTMNZAPPOMZST-RKCIHFDFSA-N- Summenformel
- C27H38O9
- Durchschnittliche Molmasse
- 506,6 g/mol
- Monoisotopische Masse
- 506,25158279
Überblick
11alpha-hydroxyprogesterone 11-glucosiduronic acid is a steroid glucosiduronic acid comprising 11alpha-hydroxyprogesterone having a beta-Dglucosiduronic acid residue attached to the 11-hydroxy group via a glycosidic linkage. It is functionally related to an 11alpha-hydroxyprogesterone.
Namen und Bezeichner
- Bevorzugter Name
- 11Alpha-hydroxyprogesterone 11-glucosiduronic acid
- IUPAC
- (2S,3S,4S,5R,6R)-6-[[(8S,9S,10R,11R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
- Englischer Name
- 11a-Hydroxyprogesterone 11-Glucuronide
- Summenformel
- C27H38O9
- Molmasse
- 506.59
Namen und Synonyme
11alpha-hydroxyprogesterone 11-glucosiduronic acid3,20-dioxopregn-4-en-11alpha-yl beta-D-glucopyranosiduronic acidCHEBI:62672RefChem:105738477710-64-6progesterone 11alpha-glucuronide11a-Hydroxy progesterone b-D-glucuronideST 21:3;O3;GlcAorb3181814DTXSID90693627LMST05010050(2S,3S,4S,5R,6R)-6-[[(8S,9S,10R,11R,13S,14S,17S)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Weitere Namen anzeigen
11a-Glucuronylprogesterone(11α)-3,20-Dioxopregn-4-en-11-ylRasagiline Impurity 1 Esylate-13c311a-Hydroxyprogesterone -D-Glucuronide11a-Hydroxyprogesterone 11-Glucuronide11α-Hydroxy Progesterone β-D-Glucuronide11a-Hydroxy Progesterone-β-D-Glucuronide(11a)-3,20-Dioxopregn-4-en-11-yl -D-Glucopyranosiduronic Acidβ-D-Glucopyranosiduronic acid, (11α)-3,20-dioxopregn-4-en-11-yl
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1
- Polarare Oberfläche (TPSA)
- 151 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 36
- Formalladung
- 0
- Komplexität
- 976
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Sterol Lipids [ST] -> Steroid conjugates [ST05] -> Glucuronides [ST0501]
Physikochemische Eigenschaften
- Schmelzpunkt
- 216 · 216-220°C
- Siedepunkt
- 718.97 · 718.970±60.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.374 · 1.374±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly)
- pka
- 2.817 · 2.817±0.70(predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Pale Yellow
Chemie und Industrie
Anwendungen
VerwendenA progesterone derivative
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
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