20-(5,5-Dimethyl-1,3-dioxan-2-yl)-1alpha, 2alpha-epoxy-7alpha-hydroxypregna-5-en-3beta-yl acetate
Grundinformationen
- Standard-SMILES
CC(=O)O[C@@H]1CC2=C[C@@H](O)[C@H]3[C@@H]4CC[C@H](C(C)C5OCC(C)(C)CO5)[C@@]4(C)CC[C@@H]3[C@@]2(C)[C@H]2O[C@@H]12- InChIKey
HUVDTVUJACLKMU-DMYDRIJXSA-N- Summenformel
- C29H44O6
- Durchschnittliche Molmasse
- 488,7 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 20-(5,5-Dimethyl-1,3-dioxan-2-yl)-1alpha, 2alpha-epoxy-7alpha-hydroxypregna-5-en-3beta-yl acetate
- IUPAC
- [(1S,2R,3R,5S,6R,10S,11S,12S,15R,16S)-15-[1-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]-10-hydroxy-2,16-dimethyl-4-oxapentacyclo[9.7.0.02,8.03,5.012,16]octadec-8-en-6-yl] acetate
Namen und Synonyme
SCHEMBL9440936HUVDTVUJACLKMU-DMYDRIJXSA-N20-(5,5-di-methyl-1,3-dioxan-2-yl)-1alpha,2alpha-epoxy-7alpha-hydroxypregn-5-en-3beta-yl acetate20-(5,5-dimethyl-1,3-dioxan-2-yl)-1alpha, 2alpha-epoxy-7alpha-hydroxypregna-5-en-3beta-yl acetate20-(5,5-dimethyl-1,3-dioxan-2-yl)-1alpha,2alpha-epoxy-7alpha-hydroxypregn-5-en-3beta-yl acetate20-(5,5-dimethyl-1,3-dioxan-2-yl)-1alpha,2alpha-epoxy-7alpha-hydroxypregna-5-en-3beta-yl acetate20-(5,5-dimethyl-1,3-dioxan-2-yl)-1alpha,2alpha-epoxy-7alphahydroxypregn-5-en-3beta-yl acetate20-(5,5-dimethyl-1,3-dioxan2-yl)-1alpha,2alpha-epoxy-7alpha-hydroxypregn-5-en-3beta-yl acetate
Datenbank-Bezeichner
- PubChem CID
- 86745802
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,9
- Polarare Oberfläche (TPSA)
- 77,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 903
Zugehörige Reaktionen
20
Notizen zur Verbindung
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