(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

HCID 7061039

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

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