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21-Hydroxy-5beta-pregnane-3,11,20-trione

Base Information Edit
  • Chemical Name:21-Hydroxy-5beta-pregnane-3,11,20-trione
  • CAS No.:10417-86-4
  • Molecular Formula:C21H30O4
  • Molecular Weight:346.467
  • Hs Code.:
  • NSC Number:79098
  • UNII:782BF6Q44B
  • DSSTox Substance ID:DTXSID201019218
  • Nikkaji Number:J2.755.994H
  • Wikidata:Q27266630
  • Metabolomics Workbench ID:200436
  • Mol file:10417-86-4.mol
21-Hydroxy-5beta-pregnane-3,11,20-trione

Synonyms:UNII-782BF6Q44B;10417-86-4;782BF6Q44B;21-Hydroxy-5beta-pregnane-3,11,20-trione;NSC 79098;NSC-79098;(5R,8S,9S,10S,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione;SCHEMBL2508790;DTXSID201019218;NSC79098;5.BETA.-PREGNAN-21-OL-3,11,20-TRIONE;Q27266630;21-HYDROXY-5.BETA.-PREGNANE-3,11,20-TRIONE;21-HYDROXYPREGNANE-3,11,20-TRIONE, (5.BETA.)-;5.BETA.-PREGNANE-3,11,20-TRIONE, 21-HYDROXY-;PREGNANE-3,11,20-TRIONE, 21-HYDROXY-, (5.BETA.)-

Suppliers and Price of 21-Hydroxy-5beta-pregnane-3,11,20-trione
Supply Marketing:Edit
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • Medical Isotopes, Inc.
  • 5β-Pregnan-21-ol-3,11,20-trione
  • 10 mg
  • $ 675.00
Total 6 raw suppliers
Chemical Property of 21-Hydroxy-5beta-pregnane-3,11,20-trione Edit
Chemical Property:
  • Vapor Pressure:2.02E-12mmHg at 25°C 
  • Boiling Point:507.4°Cat760mmHg 
  • PKA:12.95±0.10(Predicted) 
  • Flash Point:274.8°C 
  • PSA:71.44000 
  • Density:1.17g/cm3 
  • LogP:2.95480 
  • XLogP3:2.2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Rotatable Bond Count:2
  • Exact Mass:346.21440943
  • Heavy Atom Count:25
  • Complexity:625
Purity/Quality:

98%,99%, *data from raw suppliers

5β-Pregnan-21-ol-3,11,20-trione *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC12CCC(=O)CC1CCC3C2C(=O)CC4(C3CCC4C(=O)CO)C
  • Isomeric SMILES:C[C@]12CCC(=O)C[C@H]1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C
  • Uses 5β-Pregnan-21-ol-3,11,20-trione is a metabolite of corticosterone.
Technology Process of 21-Hydroxy-5beta-pregnane-3,11,20-trione

There total 5 articles about 21-Hydroxy-5beta-pregnane-3,11,20-trione 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:
Guidance literature:
With hydrogenchloride; acetone; N-bromoacetamide;
DOI:10.1021/ja01588a041
Guidance literature:
Multi-step reaction with 2 steps
1: KHCO3; aqueous methanol
2: N-bromo-acetamide; HCl; aqueous acetone
With hydrogenchloride; methanol; potassium hydrogencarbonate; acetone; N-bromoacetamide;
DOI:10.1021/ja01588a041
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