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3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one

Base Information Edit
  • Chemical Name:3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one
  • CAS No.:570-78-5
  • Molecular Formula:C21H34 O3
  • Molecular Weight:334.499
  • Hs Code.:
  • European Community (EC) Number:209-333-8
  • NSC Number:50920
  • UNII:617IS2U65V
  • DSSTox Substance ID:DTXSID60972491
  • Nikkaji Number:J14.709E
  • Wikidata:Q27116012
  • ChEMBL ID:CHEMBL514852
  • Mol file:570-78-5.mol
3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one

Synonyms:3,6-dihydroxy-5alpha-pregnan-20-one;diolone;pregnan-3,6-diol-20-one;pregnan-3,6-diol-20-one, (3alpha,5alpha,6alpha)-isomer;pregnan-3,6-diol-20-one, (3alpha,5alpha,6beta)-isomer;pregnan-3,6-diol-20-one, (3alpha,5beta,6beta)-isomer;pregnan-3,6-diol-20-one, (3beta,5alpha,6alpha)-isomer;pregnan-3,6-diol-20-one, (3beta,5alpha,6beta)-isomer;pregnan-3,6-diol-20-one, (3beta,5beta,6alpha)-isomer;pregnan-3,6-diol-20-one, (3beta,5beta,6beta)-isomer;pregnan-3,6-diol-20-one, (5alpha,6alpha)-isomer;pregnan-3,6-diol-20-one, (5alpha,6beta)-isomer

Suppliers and Price of 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one
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
  • TRC
  • 5β-Pregnan-3α,6α-diol-20-one
  • 200mg
  • $ 155.00
  • American Custom Chemicals Corporation
  • 5-BETA-PREGNANE-3-ALPHA,6-ALPHA-DIOL-20-ONE 95.00%
  • 50MG
  • $ 667.01
  • American Custom Chemicals Corporation
  • 5-BETA-PREGNANE-3-ALPHA,6-ALPHA-DIOL-20-ONE 95.00%
  • 5MG
  • $ 647.96
Total 11 raw suppliers
Chemical Property of 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one Edit
Chemical Property:
  • Boiling Point:469.7°Cat760mmHg 
  • Flash Point:252°C 
  • PSA:57.53000 
  • Density:1.117g/cm3 
  • LogP:3.56600 
  • XLogP3:3.5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Rotatable Bond Count:1
  • Exact Mass:334.25079494
  • Heavy Atom Count:24
  • Complexity:531
Purity/Quality:

99% *data from raw suppliers

5β-Pregnan-3α,6α-diol-20-one *data from reagent suppliers

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

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(=O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C
  • Isomeric SMILES:CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C
Technology Process of 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one

There total 16 articles about 3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one 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:
Multistep reaction; (i) NBS, CCl4, (UV-irradiation), (ii) CrO3, H2SO4, aq. AcOH, (iii) KOH, MeOH;
Guidance literature:
Multi-step reaction with 6 steps
1: toluene / Kochen der vom Aether befreiten Reaktionsloesung
2: glacial acetic acid; acetic acid anhydride / Erhitzen des Reaktionsprodukts mit wss.-methanol. NaOH
3: glacial acetic acid
4: tetrachloromethane; N-bromo-succinimide / Irradiation.Behandeln des Reaktionsprodukts mit siedendem N,N-Dimethyl-anilin und Kochen des Reaktionsprodukts mit Acetanhydrid und Eisessig
5: acetic acid; chloroform; CrO3 and aqueous acetic acid / 0 °C
6: methanol.KOH
With tetrachloromethane; potassium hydroxide; N-Bromosuccinimide; chloroform; acetic anhydride; acetic acid; toluene;
DOI:10.1021/ja01213a052
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