(8'R,9'S,10'R,13'S,14'S)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one
Grundinformationen
- Standard-SMILES
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC21OCCO1- InChIKey
AOYBIWCQSGSYJF-DEPCRRQNSA-N- Summenformel
- C21H28O3
- Durchschnittliche Molmasse
- 328,4 g/mol
Namen und Bezeichner
- Bevorzugter Name
- (8'R,9'S,10'R,13'S,14'S)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one
- IUPAC
- (8'R,9'S,10'R,13'S,14'S)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-one
Namen und Synonyme
2398-63-2Estradiol Impurity 10AOYBIWCQSGSYJF-DEPCRRQNSA-N(3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,7,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-[1,3]dioxolan]-7-one(8'R,9'S,10'R,13'S,14'S)-10',13'-dimethylspiro[1,3-dioxolane-2,17'-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene]-3'-oneSCHEMBL1144570(8R,9S,10R,13S,14S)-10,13-Dimethyl-7,8,9,10,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolan]-3(6H)-one17,17-ethylenedioxyandrosta-1,4-dien-3-oneAndrosta-1,4-diene-3,17-dione, cyclic 17-(ethylene acetal) (6CI,7CI,8CI); 17-Ethylendioxyandrosta-1,4-dien-3-one; Androsta-1,4- diene-3,17-dione 17-ethylene ketal; (8R,9S,10R,13S,14S)-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydrospiro[cyclopenta[a]phenanthrene-17,2'-[1,3]dioxolan]-3(6H)-one
Datenbank-Bezeichner
- PubChem CID
- 7061039
- Nikkaji
- J27.413E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 35,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 641
Zugehörige Reaktionen
5
Notizen zur Verbindung
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