17beta-Hydroxy-5beta-estran-3-one

HCID 21634212
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Grundinformationen

Standard-SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O
InChIKey
RHVBIEJVJWNXBU-XZVKZCCLSA-N
Summenformel
C18H28O2
Durchschnittliche Molmasse
276,4 g/mol

Überblick

17beta-hydroxy-5beta-estran-3-one is a C18 steroid with 5beta-configuration formed from nandrolone by reduction across the C4-C5 double bond. It has a role as a human metabolite. It is a 3-oxo-5beta-steroid and a 17beta-hydroxy steroid. It derives from a hydride of a 5beta-estrane.

Namen und Bezeichner

Bevorzugter Name
17beta-Hydroxy-5beta-estran-3-one
IUPAC
(5R,8R,9R,10S,13S,14S,17S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one

Namen und Synonyme

17beta-hydroxy-5beta-estran-3-one17b-Hydroxy-5b-estran-3-one(5beta,17beta)-17-hydroxyestran-3-one17beta-hydroxy-19-nor-5beta-androstan-3-oneSCHEMBL5863117CHEBI:87333RHVBIEJVJWNXBU-XZVKZCCLSA-N(5b,17b)-17-Hydroxyestran-3-one17b-Hydroxy-19-nor-5b-androstan-3-oneQ27159535(5R,8R,9R,10S,13S,14S,17S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one19468-31-6

Datenbank-Bezeichner

PubChem CID
21634212
ChEBI
CHEBI:87333

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,3
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
20

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