Allopregnane-3beta,17alpha,21-triol-11,20-dione

Base Information

• Chemical Name: Allopregnane-3beta,17alpha,21-triol-11,20-dione
• CAS No.: 516-45-0
• Molecular Formula: C₂₁H₃₂O₅
• Molecular Weight: 364.482
• UNII: Y40T47207F
• DSSTox Substance ID: DTXSID10878590
• Nikkaji Number: J6.311H
• Wikidata: Q27294236
• Mol file: 516-45-0.mol

Synonyms:Kendall's compound G;Reichstein's substance D;Wintersteiner's compound B;516-45-0;Allopregnane-3beta,17alpha,21-triol-11,20-dione;Y40T47207F;Tetrahydrocortison;Ba 2681;UNII-Y40T47207F;tetrahydro-Cortisone;3alpha,17,21-Trihydroxypregnane-11,20-dione;3beta,17,21-Trihydroxy-5alpha-pregnane-11,20-dione;SCHEMBL4111245;Allopregnane-3beta,17alpha,21-triol-11,20-dione [mi];3beta,17alpha,21-Trihydroxy-5alpha-pregnane-11,20-dione;5alpha-Pregnane-11,20-dione, 3beta,17,21-trihydroxy-;DTXSID10878590;Pregnane-11,20-dione, 3,17,21-trihydroxy-, (3beta,5alpha)-;5a-Pregnan-3b,17a,21-triol-11,20-dion;Allopregnane-3b,17a,21-triol-11,20-dione;3a,17,21-trihydroxy-5a-pregnane-11,20-dione;3a,17,21-trihydroxy-5b-pregnane-11,20-dione;3b,17,21-trihydroxy-5a-pregnane-11,20-dione;(3a,5b)-3,17,21-trihydroxy-pregnane-11,20-dione;3alpha,17,21-trihydroxy-5beta-Pregnane-11,20-dione;Q27294236;ALLOPREGNANE-3.BETA.,17.ALPHA.,21-TRIOL-11,20-DIONE;3.BETA.,17,21-TRIHYDROXY-5.ALPHA.-PREGNANE-11,20-DIONE;3.BETA.,17.ALPHA.,21-TRIHYDROXY-5.ALPHA.-PREGNANE-11,20-DIONE;5.ALPHA.-PREGNANE-11,20-DIONE, 3.BETA.,17,21-TRIHYDROXY-;ALLOPREGNANE-3.BETA.,17.ALPHA.,21-TRIOL-11,20-DIONE [MI];PREGNANE-11,20-DIONE, 3,17,21-TRIHYDROXY-, (3.BETA.,5.ALPHA.)-;(1S,2S,5S,7S,10S,11S,14R,15S)-5,14-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-17-one;3,17-dihydroxy-17-hydroxyacetyl-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-11-one

Chemical Property of Allopregnane-3beta,17alpha,21-triol-11,20-dione

Chemical Property:

• Melting Point: 238-242°
• Boiling Point: 544.5°Cat760mmHg
• Flash Point: 297.1°C
• PSA: 94.83000
• Density: 1.249g/cm³
• LogP: 1.86150
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 364.22497412
• Heavy Atom Count: 26
• Complexity: 632

Purity/Quality:

98%min ^*data from raw suppliers

3BETA,17ALPHA,21-TRIOL-11,20-DIONE-ALLOPREGNANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)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@@]4(C(=O)CO)O)C)O

Technology Process of Allopregnane-3beta,17alpha,21-triol-11,20-dione

There total 3 articles about Allopregnane-3beta,17alpha,21-triol-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:

→ 11,20-Dioxo-pregnantriol-(3α,17α,21) (53-05-4,516-45-0,547-77-3,7235-42-9,28423-49-6)

Guidance literature:

Cortison, Einwirkg. v. Clostridium paraputrificum;

Reference yield:

→ 5β-Pregnantriol-(3α,17α,21)-dion-(11,20) (53-05-4,516-45-0,547-77-3,7235-42-9,28423-49-6)

Guidance literature:

Bildg. u. Vork.: Vermehrte Ausscheidg. i. Harn v. Menschen n. Verabfolgung v. Dehydroepiandrosteron-phosphat;

Reference yield:

→ 3β,17α,21-Trihydroxy-11-oxo-5α-pregnan-on-(20) (53-05-4,516-45-0,547-77-3,7235-42-9,28423-49-6)

Guidance literature:

Cortison in einer Kultur v. Catenabacterium;

Downstream raw materials:

5α-androstane-3,11,17-trione