Spiro[furan-2(3H),17'-[4,7]methano[17H]cyclopenta[a]phenanthrene]-5'(2'H)-carbonitrile, hexadecahydro-11'-hydroxy-10',13'-dimethyl-3',5,20'-trioxo-, (4'S,5'S,7'R,8'S,9'S,10'R,11'R,13'S,14'S,17'R)-
Grundinformationen
- CAS
192704-54-4- Standard-SMILES
C[C@]12C[C@@H](O)[C@H]3[C@@H]([C@H]4C[C@]5(C#N)[C@@H](C(=O)CC[C@]35C)C4=O)[C@@H]1CC[C@@]21CCC(=O)O1- InChIKey
LTURYFVUSWITHJ-WUBNCRFQSA-N- Summenformel
- C24H29NO5
- Durchschnittliche Molmasse
- 411,5 g/mol
- Monoisotopische Masse
- 411,20457303
Überblick
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Namen und Bezeichner
- Bevorzugter Name
- Spiro[furan-2(3H),17'-[4,7]methano[17H]cyclopenta[a]phenanthrene]-5'(2'H)-carbonitrile, hexadecahydro-11'-hydroxy-10',13'-dimethyl-3',5,20'-trioxo-, (4'S,5'S,7'R,8'S,9'S,10'R,11'R,13'S,14'S,17'R)-
- IUPAC
- (1'R,2R,2'S,3'S,7'S,9'R,10'S,11'R,15'S,16'S)-9'-hydroxy-7',11'-dimethyl-5,14',18'-trioxospiro[oxolane-2,6'-pentacyclo[13.2.1.02,10.03,7.011,16]octadecane]-16'-carbonitrile
- Englischer Name
- Eplerenone intermediate A1
- Summenformel
- C24H29NO5
- Molmasse
- 411.5
Namen und Synonyme
192704-54-4Spiro[furan-2(3H),17'-[4,7]methano[17H]cyclopenta[a]phenanthrene]-5'(2'H)-carbonitrile, hexadecahydro-11'-hydroxy-10',13'-dimethyl-3',5,20'-trioxo-, (4'S,5'S,7'R,8'S,9'S,10'R,11'R,13'S,14'S,17'R)-(1'R,2R,2'S,3'S,7'S,9'R,10'S,11'R,15'S,16'S)-9'-Hydroxy-7',11'-dimethyl-5,14',18'-trioxospiro[oxolane-2,6'-pentacyclo[13.2.1.02,10.03,7.011,16]octadecane]-16'-carbonitrileDTXSID701036685Spiro[furan-2(3H),17a(2)-[4,7]methano[17H]cyclopenta[a]phenanthrene]-5a(2)(2a(2)H)-carbonitrile, hexadecahydro-11a(2)-hydroxy-10a(2),13a(2)-dimethyl-3a(2),5,20a(2)-trioxo-, (4a(2)S,5a(2)S,7a(2)R,8a(2)S,9a(2)S,10a(2)R,11a(2)R,13a(2)S,14a(2)S,17a(2)R)-Eplerenone intermediate A1Eplerenone intermediate 25-Cyano-11 alpha-hydroxy-3,5'-dioxo-4 beta,5',6,7 beta-tetrahydrocyclopenta[4,5,6,7]-5 beta,17 alpha-pregnane-21,17-carbolactone4'S(4'α),7'α-hexadecahydro-11'α-hydroxy-10'β,13'beta-dimethyl-3',5,20'-trioxospiro[furan-2(3H),17'β-[4,7]metheno(17H)cyclopenta[a]phenanthrene]-5'β(2'H)-carbonitrile(2R,5'S,7'R,10'R,11'R,13'S)-11'-hydroxy-10',13'-dimethyl-3',5,18'-trioxohexadecahydro-3H-spiro[furan-2,17'-[4,7]methanocyclopenta[a]phenanthrene]-5'(2'H)-carbonitrile
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,4
- Polarare Oberfläche (TPSA)
- 104 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 30
- Formalladung
- 0
- Komplexität
- 950
Physikochemische Eigenschaften
- Siedepunkt
- 664.7 · 664.7±55.0 °C(Predicted)
- Dichte
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- pka
- 5.86 · 5.86±0.70(Predicted)
- Wasserlöslichkeit
- 40 mg/L · 40mg/L at 20℃
- LogP
- 0 at · 0 at 25℃
Zugehörige Reaktionen
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Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
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