Allopregnane-3beta,17alpha,20alpha-triol

Base Information

• Chemical Name: Allopregnane-3beta,17alpha,20alpha-triol
• CAS No.: 570-50-3
• Molecular Formula: C21H36 O3
• Molecular Weight: 336.515
• European Community (EC) Number: 208-299-1
• UNII: 67910O30V9
• Metabolomics Workbench ID: 198472
• Nikkaji Number: J6.534J
• Wikidata: Q27264099
• Mol file: 570-50-3.mol

Synonyms:Reichstein's substance O;Allopregnane-3beta,17alpha,20alpha-triol;570-50-3;67910O30V9;520-86-5;5-ALPHA-PREGNAN-3-BETA,17,20-ALPHA-TRIOL;UNII-67910O30V9;5alpha-Pregnane-3beta,17alpha,20alpha-triol;Allopregnane-3beta,17alpha,20alpha-triol [MI];Pregnane-3,17,20-triol, (3beta,5alpha,20S)-;SCHEMBL16226739;Q27264099;ALLOPREGNANE-3.BETA.,17.ALPHA.,20.ALPHA.-TRIOL;5.ALPHA.-PREGNANE-3.BETA.,17.ALPHA.,20.ALPHA.-TRIOL;ALLOPREGNANE-3.BETA.,17.ALPHA.,20.ALPHA.-TRIOL [MI];PREGNANE-3,17,20-TRIOL, (3.BETA.,5.ALPHA.,20S)-

Chemical Property of Allopregnane-3beta,17alpha,20alpha-triol

Chemical Property:

• Melting Point: 222-223°
• Boiling Point: 469.9°Cat760mmHg
• Flash Point: 208.2°C
• PSA: 60.69000
• Density: 1.123g/cm³
• LogP: 3.50190
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 336.26644501
• Heavy Atom Count: 24
• Complexity: 507

Purity/Quality:

99% ^*data from raw suppliers

3BETA,17ALPHA,20ALPHA-TRIOL ALLOPREGNANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1(CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)O)O
• Isomeric SMILES: C[C@@H]([C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O)O

Technology Process of Allopregnane-3beta,17alpha,20alpha-triol

There total 5 articles about Allopregnane-3beta,17alpha,20alpha-triol 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,17α,20β-Trihydroxy-5β-pregnan (520-86-5,570-50-3,1098-45-9,1165-28-2,2471-66-1,2506-52-7,3856-32-4,4352-12-9,6210-46-4,13933-75-0,16134-59-1,18674-77-6,30344-01-5,33995-20-9,58718-26-6,73651-17-9,85202-13-7,97133-39-6,97133-43-2,120924-96-1)

Guidance literature:

3α,17α-Dihydroxy-20-oxo-pregnan, BH4Na;

DOI:10.1002/jlcr.2590040410

Reference yield:

→ 5β-Pregnan-3α,17α,20α-triol (520-86-5,570-50-3,1098-45-9,1165-28-2,2471-66-1,2506-52-7,3856-32-4,4352-12-9,6210-46-4,13933-75-0,16134-59-1,18674-77-6,30344-01-5,33995-20-9,58718-26-6,73651-17-9,85202-13-7,97133-39-6,97133-43-2,120924-96-1)

Guidance literature:

20-Oxo-verb., LiAlH4;

Reference yield:

→ 5β-Pregnan-3β,17α,20-triol (520-86-5,570-50-3,1098-45-9,1165-28-2,2471-66-1,2506-52-7,3856-32-4,4352-12-9,6210-46-4,13933-75-0,16134-59-1,18674-77-6,30344-01-5,33995-20-9,58718-26-6,73651-17-9,85202-13-7,97133-39-6,97133-43-2,120924-96-1)

Guidance literature:

5β-Pregnan-3β,17α-diol-20-on (VIII), LiAlH4, THF;

Downstream raw materials:

androstanedione

Epiandrosterone

acetaldehyde

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