(5alpha)-17-Hydroxypregnane-3,20-dione
Grundinformationen
- CAS
570-59-2- Standard-SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C- InChIKey
UUOHXXXJRQGPLC-JJFNZWTKSA-N- Summenformel
- C21H32O3
- Durchschnittliche Molmasse
- 332,5 g/mol
- Monoisotopische Masse
- 332,23514488
Namen und Bezeichner
- Bevorzugter Name
- (5alpha)-17-Hydroxypregnane-3,20-dione
- IUPAC
- (5S,8R,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
- Englischer Name
- 17-alpha-Hydroxy-5-alpha-pregnane-3,20-dione
- Summenformel
- C21H32O3
- Molmasse
- 332.48
Namen und Synonyme
570-59-25alpha-Pregnan-17alpha-ol-3,20-dione(5alpha)-17-Hydroxypregnane-3,20-dione(5S,8R,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one17-Hydroxy-5alpha-pregnane-3,20-dioneSCHEMBL5909374Hydroxyprogesterone Impurity 25CHEMBL1078989DTXSID304745385?-Pregnan-17?-ol-3,20-dioneLMST0203030417alpha-hydroxy-5alpha-dihydroprogesterone
Weitere Namen anzeigen
5A-pregnan-17A-ol-3-20-dione5α-Pregnan-17α-ol-3,20-dione5α-PREGNAN-17-OL-3, 20-DIONE5-ALPHA-PREGNAN-17-OL-3,20-DIONE5α-Pregnan-17α-ol-3,20-dioneAllopregnan-17ALPHA-ol-3,20-dione17α-Hydroxy-5α-Pregnane-3,20-DionePregnane-3,20-dione, 17-hydroxy-, (5α)-17-alpha-Hydroxy-5-alpha-pregnane-3,20-dione
17alpha-hydroxy-5alpha-pregnan-3,20-dioneC22831(5S,8R,9S,10S,13S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethylhexadecahydro-3H-cyclopenta[a]phenanthren-3-one
Datenbank-Bezeichner
- CAS
570-59-2- PubChem CID
- 11889565
- DTXSID
DTXSID30474538- ChEMBL
CHEMBL1078989- Nikkaji
- J668.334G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,2
- Polarare Oberfläche (TPSA)
- 54,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 584
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
Physikochemische Eigenschaften
- Schmelzpunkt
- 251 · 251-253 °C
- Siedepunkt
- 463.8 · 463.8±45.0 °C(Predicted)
- Dichte
- 1.118 · 1.118±0.06 g/cm3(Predicted)
- pka
- 13.05 · 13.05±0.60(Predicted)
Chemie und Industrie
Anwendungen
Verwenden5alpha-Pregnan-17alpha-ol-3,20-dione is used for enhancing health and physical performance.
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