4,5beta-Dihydrocortisone
Grundinformationen
- CAS
68-54-2- Standard-SMILES
C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO- InChIKey
YCLWEYIBFOLMEM-FNLRALKVSA-N- Summenformel
- C21H30O5
- Durchschnittliche Molmasse
- 362,5 g/mol
- Monoisotopische Masse
- 362,20932405
Überblick
17,21-dihydroxy-5beta-pregnane-3,11,20-trione is a 4,5-dihydrocortisone that has beta- configuration at position 5. It is a primary alpha-hydroxy ketone, a tertiary alpha-hydroxy ketone, a 3-oxo-5beta-steroid and a 4,5-dihydrocortisone.
Namen und Bezeichner
- Bevorzugter Name
- 4,5beta-Dihydrocortisone
- IUPAC
- (5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione
- Englischer Name
- 5-beta-Dihydrocortisone
- Summenformel
- C21H30O5
- Molmasse
- 362.46
Namen und Synonyme
4,5beta-DihydrocortisoneRefChem:106941768-54-25beta-Dihydrocortisone5|A-Dihydrocortisone17,21-dihydroxy-5beta-pregnane-3,11,20-trione17alpha,21-Dihydroxy-5beta-pregnane-3,11,20-trione5beta-Pregnane-17alpha,21-diol-3,11,20-trione(5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11-dione5b-Dihydrocortisone6F8SZ90823C05469
Weitere Namen anzeigen
DIHYDROCORTISONE5-dihydrocortisone5β-Dihydrocortisone52-Dihydrocortisone5-beta-DihydrocortisoneHydrocortisone Impurity 525β-PREGNAN-17, 21-DIOL-3, 11, 20-TRIONE5-BETA-PREGNAN-17,21-DIOL-3,11,20-TRIONE5BETA-PREGNAN-17ALPHA,21-DIOL-3,11,20-TRIONE
5.beta.-DihydrocortisoneDihydrocortisone, (5beta)-UNII-6F8SZ90823DTXSID709874155??-Dihydrocortisone5|?-Dihydrocortisone4,5-b-dihydrocortisone(5beta)-dihydrocortisone
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,8
- Polarare Oberfläche (TPSA)
- 91,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 671
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Sterol Lipids [ST] -> Steroids [ST02] -> C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
Physical DescriptionSolid
Physikochemische Eigenschaften
- Schmelzpunkt
- 211 · 211-213°C
- storage temp.
- Refrigerator
- Löslichkeit
- DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
- Aggregatzustand
- Solid
- Farbe
- White to Off-WHite
Chemie und Industrie
Pharmakologische Informationen
Cellular LocationsExtracellular
Metabolite Pathways11-beta-hydroxylase deficiency (CYP11B1)
Anwendungen
Verwenden5β-Dihydrocortisone is used in the screening of nonsteroidal antiinflammatory drug potency.
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