(3R,5R,8S,10S,13S,14S,Z)-17-Ethylidene-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthren-3-YL acetate

HCID 25145012

Grundinformationen

Standard-SMILES
C/C=C1/CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C
InChIKey
TYZQYJJHKVTJMQ-YVPOXDCLSA-N
Summenformel
C23H34O2
Durchschnittliche Molmasse
342,5 g/mol

Namen und Bezeichner

Bevorzugter Name
(3R,5R,8S,10S,13S,14S,Z)-17-Ethylidene-10,13-dimethyl-2,3,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[A]phenanthren-3-YL acetate
IUPAC
[(3R,5R,8S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate

Namen und Synonyme

1093397-69-3(3R,5R,8S,10S,13S,14S,Z)-17-ETHYLIDENE-10,13-DIMETHYL-2,3,4,5,6,7,8,10,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YL ACETATESCHEMBL330506TYZQYJJHKVTJMQ-YVPOXDCLSA-N(Z)-3alpha-Acetoxy-5beta-pregna-9(11),17(20)-diene(Z)-3alpha-Acetoxy-5beta-pregna-9 (11),17 (20)-diene(Z)-3alpha-Acetoxy-5beta-pregna-9(11), 17(20)-diene(3R,5R,8S,10S,13S,14S,Z)-17-ETHYLIDENE-10,13-DIMETHYL-2,3,4,5,6,7,8,10,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-YLACETATE

Datenbank-Bezeichner

PubChem CID
25145012

Eigenschaften

Berechnete Struktureigenschaften

XLogP
5,4
Polarare Oberfläche (TPSA)
26,3 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
25

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