Beta-Cortol
Grundinformationen
- CAS
667-65-2- Standard-SMILES
C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)[C@H](O)CO- InChIKey
FFPUNPBUZDTHJI-ZFOKFBPFSA-N- Summenformel
- C21H36O5
- Durchschnittliche Molmasse
- 368,5 g/mol
- Monoisotopische Masse
- 368,25627424
Namen und Bezeichner
- Bevorzugter Name
- Beta-Cortol
- IUPAC
- (3R,5R,8S,9S,10S,11S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triol
- Englischer Name
- BETA-CORTOL
- Summenformel
- C21H36O5
- Molmasse
- 368.51
Namen und Synonyme
Beta-Cortol667-65-220beta-CortolNSC-58792K5O9P9J39FDTXSID50289060Pregnane-3,11,17,20,21-pentol, (3alpha,5beta,11beta,20R)-5beta-Pregnane-3alpha,11beta,17,20R,21-pentolRefChem:1079630DTXCID40240206b-cortolbeta-Cortol [MI]
Weitere Namen anzeigen
2-Cortolβ-CortolB-cortol crystalline5β-pregnan-3α, 11β, 17, 20β, 21-pentolPregnane-3,11,17,20,21-pentol, (3α,5β,11β,20R)-5BETA-PREGNAN-3ALPHA,11BETA,17ALPHA,20BETA,21-PENTOL5-BETA-PREGNAN-3-ALPHA, 11-BETA, 17,20-BETA, 21-PENTOL5-beta-pregnane-3-alpha,11-beta,17-alpha,20-beta,21-pentaol
(3R,5R,8S,9S,10S,11S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,11,17-triolUNII-K5O9P9J39FST 21:0;O5Cortol-20beta.BETA.-CORTOL20.BETA.-CORTOL.BETA.-CORTOL [MI]orb3172793
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 101 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 555
Physikochemische Eigenschaften
- Schmelzpunkt
- 228 oC · >228oC (dec.)
- Siedepunkt
- 564.5 · 564.5±50.0 °C(Predicted)
- Dichte
- 1.252 · 1.252±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- Löslichkeit
- DMSO, Ethanol (Slightly), Methanol (Very Slightly), Pyridine (Slightly)
- pka
- 14.06 · 14.06±0.70(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Stabilität
- Hygroscopic
Chemie und Industrie
Anwendungen
Verwendenβ-Cortol is a metabolite of cortisol (H714615), a steroid hormone, more specifically a glucocorticoid, produced by the zona fasciculata of the adrenal gland. Cortisol is released in response to stress and a low level of blood glucocorticoids. Its primary functions are to increase blood sugar through gluconeogenesis; suppress the immune system; and aid in fat, protein and carbohydrate metabolism.
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