(25R)-26-Hydroxycholest-4-en-3-one
Grundinformationen
- CAS
56792-59-7- Standard-SMILES
C[C@@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
CXUORUGFOXGJNY-LUZKGJLSSA-N- Summenformel
- C27H44O2
- Durchschnittliche Molmasse
- 400,6 g/mol
- Monoisotopische Masse
- 400,33413064
Überblick
(25R)-26-hydroxycholest-4-en-3-one is a 26-hydroxycholest-4-en-3-one in which the 25-position has R-configuration.
Namen und Bezeichner
- Bevorzugter Name
- (25R)-26-Hydroxycholest-4-en-3-one
- IUPAC
- (8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- Englischer Name
- (25R)-26-Hydroxy-cholest-4-en-3-one
- Summenformel
- C27H44O2
- Molmasse
- 400.64
Namen und Synonyme
(25R)-26-hydroxycholest-4-en-3-oneCHEBI:83861RefChem:6872656792-59-727-hydroxy cholestenone(25R)-26-Hydroxy-cholest-4-en-3-one(25R)-3-oxocholest-4-en-26-ol(8S,9S,10R,13R,14S,17R)-17-[(2R,6R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one(8S,9S,10R,13R,14S,17R)-17-((2R,6R)-7-Hydroxy-6-methylheptan-2-yl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-oneorb2283119SCHEMBL1177067PD099390
Weitere Namen anzeigen
Cholest-4-en-3-one, 26-hydroxy-, (25R)-
DB-289701HY-133967C21303T85140Q27157293(8S,9S,10R,13R,14S,17R)-17-[(1R,5R)-6-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,1
- Polarare Oberfläche (TPSA)
- 37,3 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 651
Physikochemische Eigenschaften
- Schmelzpunkt
- 136 · 136-138°C
- Siedepunkt
- 519.719 · 519.719±19.00 °C(Press: 760.00 Torr)(predicted)
- Dichte
- 1.033 · 1.033±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Refrigerator
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 15.032 · 15.032±0.10(predicted)
- Farbe
- White to Off-White
Chemie und Industrie
Anwendungen
Verwenden(25R)-26-Hydroxy-cholest-4-en-3-one is an oxygenated sterol which has many important biological activities. (25R)-26-Hydroxy-cholest-4-en-3-one has been used as a reactant for the synthesis of other sterols.
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