Beta-Cortolone

Base Information

• Chemical Name: Beta-Cortolone
• CAS No.: 667-66-3
• Molecular Formula: C₂₁H₃₄O₅
• Molecular Weight: 366.498
• NSC Number: 56997
• DSSTox Substance ID: DTXSID201318212
• Nikkaji Number: J7.084J
• Metabolomics Workbench ID: 87093
• Mol file: 667-66-3.mol

Synonyms:Beta-Cortolone;667-66-3;(3R,5R,8S,9S,10S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-3,17-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-11-one;(3R,5R,8S,9S,10S,13S,14S,17R)-17-[(1R)-1,2-dihydroxyethyl]-3,17-dihydr oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodecahydro-1H-cyclopen ta[a]phenanthren-11-one;CHEBI:175712;DTXSID201318212;NSC56997;NSC-56997;5beta-11-oxo-pregnane-3alpha, 11beta ,17, 20R, 21-tetrol

Chemical Property of Beta-Cortolone

Chemical Property:

• Vapor Pressure: 4.5E-15mmHg at 25°C
• Boiling Point: 564.1°C at 760 mmHg
• Flash Point: 309°C
• PSA: 97.99000
• Density: 1.248g/cm³
• LogP: 1.65330
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly, Heated), Methanol (Slightly, Heated), Pyridine (Slightly)
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 366.24062418
• Heavy Atom Count: 26
• Complexity: 593

Purity/Quality:

99% ^*data from raw suppliers

β-Cortolone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4(C(CO)O)O)C)O
• Isomeric SMILES: C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4([C@@H](CO)O)O)C)O
• Uses: β-Cortolone 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.

Technology Process of Beta-Cortolone

There total 1 articles about Beta-Cortolone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ β-Cortolon (516-42-7,640-85-7,667-66-3,3638-86-6,54549-17-6,56453-35-1,56453-36-2,56943-03-4,63814-10-8,63814-11-9,95118-72-2)

Guidance literature:

Tetrahydrocortison, NaBH4;