3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione

Base Information

• Chemical Name: 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione
• CAS No.: 566-03-0
• Molecular Formula: C21H32 O4
• Molecular Weight: 348.483
• European Community (EC) Number: 209-295-2
• NSC Number: 11574
• DSSTox Substance ID: DTXSID501293596
• Nikkaji Number: J188.431J
• Metabolomics Workbench ID: 200438
• Mol file: 566-03-0.mol

Synonyms:tetrahydro-11-dehydrocorticosterone;THA-11-de

Chemical Property of 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione

Chemical Property:

• Vapor Pressure: 1.82E-12mmHg at 25°C
• Boiling Point: 508.5°Cat760mmHg
• Flash Point: 275.4°C
• PSA: 74.60000
• Density: 1.175g/cm³
• LogP: 2.74660
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Heated)
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 348.23005950
• Heavy Atom Count: 25
• Complexity: 586

Purity/Quality:

99% ^*data from raw suppliers

Tetrahydrodehydrocor?ticosterone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4C(=O)CO)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@@H]4C(=O)CO)C)O
• Uses: Tetrahydrodehydrocorticosterone inhibits aldosteronogenesis by intact cells at concentrations that inhibited angiotensin binding.

Technology Process of 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione

There total 5 articles about 3alpha,21-Dihydroxy-5beta-pregnane-11,20-dione 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:

3α,21-diacetoxy-5β-pregnane-11,20-dione (2631-06-3) → 3α,21-dihydroxy-5β-pregnane-11,20-dione (566-03-0)

Guidance literature:

With methanol; potassium hydrogencarbonate;

DOI:10.1021/ja01588a041

Reference yield:

3α-hydroxy-21-acetoxy-5β-pregnanedione-(11.20) (2526-11-6) → 3α,21-dihydroxy-5β-pregnane-11,20-dione (566-03-0)

Guidance literature:

With sodium hydrogencarbonate; In methanol;

DOI:10.1016/0039-128X(63)90025-4

Reference yield:

→ 3α,21-Dihydroxy-5β-pregnandion-(11,20) (566-02-9,566-03-0,14107-37-0,52939-11-4)

Guidance literature:

7, β-Glucuronidase;

DOI:10.1021/jo00798a004

upstream raw materials:

3α,21-diacetoxy-5β-pregnane-11,20-dione

3α-hydroxy-21-acetoxy-5β-pregnanedione-(11.20)

Downstream raw materials:

21-hydroxy-5β-pregnane-3,11,20-trione

Tetrahydrocorticosterone