11-Epicortisol
Grundinformationen
- CAS
566-35-8- Standard-SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO- InChIKey
JYGXADMDTFJGBT-MKIDGPAKSA-N- Summenformel
- C21H30O5
- Durchschnittliche Molmasse
- 362,5 g/mol
- Monoisotopische Masse
- 362,20932405
Überblick
11alpha-Hydrocortisone is a 21-hydroxy steroid.
Namen und Bezeichner
- Bevorzugter Name
- 11-Epicortisol
- IUPAC
- (8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
- Englischer Name
- 11-alpha-Hydrocortisone
- Summenformel
- C21H30O5
- Molmasse
- 362.46
Namen und Synonyme
566-35-811-Epicortisol11alpha-CortisolGW7CPD2E7K11alpha,17,21-Trihydroxypregn-4-ene-3,20-dionePregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11alpha)-RefChem:105735111-EpihydrocortisoneHydrocortisone EP Impurity Mepihydrocortisone11-ALPHA-HYDROCORTISONE(8S,9S,10R,11R,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Weitere Namen anzeigen
Nsc23903EPI COMPOUND 'F'Epi Compound ‘F’EPI COMPOUND ''F''epi-Hydrocortisone11α-Hydrocortisone
NSC-23903NSC-27390(8S,9S,10R,11R,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one(11alpha)-11,17,21-Trihydroxypregn-4-ene-3,20-dione11-alpha,17-alpha,21-Trihydroxypregn-4-ene-3,20-dioneEpicortisol11alpha,17,21-Trihydroxypregn-4-ene-3,20-dione (Epihydrocortisone)(Cortisol)
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 94,8 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 684
Experimentelle und physikochemische Eigenschaften
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 217 · 217-219 °C
- Siedepunkt
- 566.4 · 566.4±50.0 °C(Predicted)
- Dichte
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- Löslichkeit
- DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
- Aggregatzustand
- Solid
- pka
- 12.47 · 12.47±0.70(Predicted)
- Farbe
- White to Off-White
- InChIKey
- JYGXADMDTFJGBT-RPEWHVAONA-N
- SMILES
- [C@@]12([H])CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@@H](O)[C@]1([H])[C@@]3(C)CCC(=O)C=C3CC[C@@]21[H] |&1:0,4,10,13,15,17,27,r|
Chemie und Industrie
Anwendungen
Verwenden11-Epihydrocortisone is an isomer of Hydrocortisone (H714615), a glucocorticord which functions primarily to increase blood sugar through gluconeogenesis, suppression of immune system and aid in fat, protein and carbohydrate metabolism.
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