Allopregnane-3beta,20beta-diol diacetate

Base Information

• Chemical Name: Allopregnane-3beta,20beta-diol diacetate
• CAS No.: 6057-94-9
• Molecular Formula: C₂₅H₄₀O₄
• Molecular Weight: 404.59
• UNII: 3N6I9ZE156
• Wikidata: Q27257723
• Metabolomics Workbench ID: 198485
• Mol file: 6057-94-9.mol

Synonyms:Allopregnane-3beta,20beta-diol diacetate;3N6I9ZE156;UNII-3N6I9ZE156;6057-94-9;Allopregnane-3beta,20beta-diol diacetate [MI];Pregnane-3,20-diol, diacetate, (3beta,5alpha,20R)-;Pregnane-3,20-diol, diacetate, (3.beta.,5.alpha.,20R)-;ALLOPREGNANE-3.BETA.,20.BETA.-DIOL DIACETATE;Q27257723;ALLOPREGNANE-3.BETA.,20.BETA.-DIOL DIACETATE [MI]

Chemical Property of Allopregnane-3beta,20beta-diol diacetate

Chemical Property:

• Density: 1.901g/cm³
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 404.29265975
• Heavy Atom Count: 29
• Complexity: 659

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)OC(=O)C
• Isomeric SMILES: C[C@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C)OC(=O)C

Technology Process of Allopregnane-3beta,20beta-diol diacetate

There total 8 articles about Allopregnane-3beta,20beta-diol diacetate 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:

→ 3β,20β-Diacetoxy-5α-pregnan (1174-69-2,5588-41-0,6003-18-5,6057-94-9,6100-28-3,6100-30-7,6170-08-7,6170-22-5,17449-85-3,35995-60-9,36027-68-6,37772-33-1,55569-10-3,96092-50-1,96687-36-4,96687-37-5,96687-38-6,96687-39-7)

Guidance literature:

5α-Pregnan-3β-acetat-20-vinylether, Pyridiniumchlorochromat;

DOI:10.1016/S0040-4039(01)83272-X

Reference yield:

→ 3β,20α-Diacetoxy-5α-pregnan (1174-69-2,5588-41-0,6003-18-5,6057-94-9,6100-28-3,6100-30-7,6170-08-7,6170-22-5,17449-85-3,35995-60-9,36027-68-6,37772-33-1,55569-10-3,96092-50-1,96687-36-4,96687-37-5,96687-38-6,96687-39-7)

Guidance literature:

5α-Pregnan-3β,20α-diol;

DOI:10.1021/jo01339a004

Reference yield:

→ 5β-Pregnan-3α,20β-diol-diacetat (1174-69-2,5588-41-0,6003-18-5,6057-94-9,6100-28-3,6100-30-7,6170-08-7,6170-22-5,17449-85-3,35995-60-9,36027-68-6,37772-33-1,55569-10-3,96092-50-1,96687-36-4,96687-37-5,96687-38-6,96687-39-7)

Guidance literature:

5β-Pregnan-3α,20β-diol, Acetanhydrid/Py.;

DOI:10.1021/jo01278a045

upstream raw materials:

diginanediol-(3β.20α_F)

acetic anhydride

Downstream raw materials:

Urandiol

20β-hydroxy-5α-pregnan-3-one