3alpha,5beta-Tetrahydro Cortisone 3-Acetate
Grundinformationen
- CAS
36623-16-2- Standard-SMILES
CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3CC[C@]2(O)C(=O)CO)C1- InChIKey
BKVRCCPOLGHPGO-LLTWYMBTSA-N- Summenformel
- C23H34O6
- Durchschnittliche Molmasse
- 406,5 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 3alpha,5beta-Tetrahydro Cortisone 3-Acetate
- IUPAC
- [(3R,5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
- Englischer Name
- 5-beta-Pregnan-3-alpha, 17,21-triol-11,20-dione 3-acetate
- Summenformel
- C23H34O6
- Molmasse
- 406.52
Namen und Synonyme
36623-16-23alpha,5beta-Tetrahydro Cortisone 3-Acetate5beta-pregnan-3alpha,17,21-triol-11,20-dione 3-acetate[(3R,5R,8S,9S,10S,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetateFT659125?-Pregnane-3?,17?,21-triol-11,20-dione-3-acetate5ss-Pregnane-11,20-dione, 3a,17,21-trihydroxy-, acetate5beta-PREGNAN-3alpha, 17, 21-TRIOL-11, 20-DIONE 3-ACETATEUROCORTISONE 3-ACETATE3α,5β-Tetrahydro Cortisone 3-Acetate5β-PREGNAN-3α, 17, 21-TRIOL-11, 20-DIONE 3-ACETATE5-beta-Pregnan-3-alpha, 17,21-triol-11,20-dione 3-acetate
Weitere Namen anzeigen
(3alpha,5beta)-3-(Acetyloxy)-17,21-dihydroxy-pregnane-11,20-dionePregnane-11,20-dione, 3-(acetyloxy)-17,21-dihydroxy-, (3α,5β)- (9CI)
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 101 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 733
Physikochemische Eigenschaften
- Siedepunkt
- 547.5 · 547.5±50.0 °C(Predicted)
- Dichte
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 12.36 · 12.36±0.70(Predicted)
Chemie und Industrie
Anwendungen
VerwendenIn order to develop specific and sensitive immunoassays, carboxylated derivatives of tetrahydrocortisol and tetrahydrocortisone were synthesized using 3α,5β-Tetrahydro Cortisone 3-Acetate and others.
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