11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one

Base Information

• Chemical Name: 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one
• CAS No.: 1807-02-9
• Molecular Formula: C20H30 O3
• Molecular Weight: 318.456
• European Community (EC) Number: 217-306-7
• UNII: 0W51MUL8AL
• Nikkaji Number: J199.630D
• Wikidata: Q27115840
• Mol file: 1807-02-9.mol

Synonyms:1807-02-9;11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one;11alpha-Hydroxy-17-methyltestosterone;UNII-0W51MUL8AL;0W51MUL8AL;EINECS 217-306-7;NSC 12433;Androst-4-en-3-one, 11,17-dihydroxy-17-methyl-, (11alpha,17beta)-;(8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one;NSC-12433;Androst-4-en-3-one, 11,17-dihydroxy-17-methyl-, (11.alpha.,17.beta.)-;SCHEMBL8342173;CHEBI:34138;11alpha-Hydroxy-17alpha-methyltestosterone;11.ALPHA.-HYDROXY-17-METHYLTESTOSTERONE;Q27115840;11.ALPHA.-HYDROXY-17.ALPHA.-METHYLTESTOSTERONE;11.ALPHA.,17.BETA.-DIHYDROXY-17-METHYLANDROST-4-EN-3-ONE;17.ALPHA.-METHYL-11.ALPHA.17-DIHYDROXY-4-ANDROSTEN-3-ONE;11,17-DIHYDROXY-17-METHYLANDROST-4-ENE-3-ONE, (11-ALPHA,17-BETA)-;(8S,10R,11R,13S,17S)-11,17-Dihydroxy-10,13,17-trimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one

Chemical Property of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one

Chemical Property:

• Vapor Pressure: 4.87E-11mmHg at 25°C
• Melting Point: 160-162 °C(Solv: ethyl acetate (141-78-6))
• Boiling Point: 475.5°Cat760mmHg
• PKA: 14.57±0.70(Predicted)
• Flash Point: 255.5°C
• PSA: 57.53000
• Density: 1.17g/cm³
• LogP: 3.24010
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 318.21949481
• Heavy Atom Count: 23
• Complexity: 581

Purity/Quality:

98%,99%, ^*data from raw suppliers

11alpha-Hydroxymethyltestosterone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C)O)C)O
• Isomeric SMILES: C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@@H](C[C@]4([C@H]3CC[C@]4(C)O)C)O
• Uses: (11α,17β)-11,17-dihydroxy-17-methylandrost-4-en-3-one is a testosterone derivative. It is an adrenal steroid hormone with glucocorticoid activity causes increased zinc uptake in human cell cultures.

Technology Process of 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-one

There total 10 articles about 11alpha,17beta-Dihydroxy-17-methylandrost-4-en-3-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:

Reference yield: 45.0%

17-methyltestosterone (58-18-4) → 15α-hydroxy-17α-methyltestosterone + 11α,17β-Dihydroxy-17α-methylandrost-4-en-3-one (1807-02-9) + 7α,17β-dihydroxy-17-methyl-4-androsten-3-one (972-50-9)

Guidance literature:

With D-glucose; In water; acetone; at 25 ℃; Reagent/catalyst; Microbiological reaction;

DOI:10.1016/j.bioorg.2018.03.021

Reference yield: 16.0%

17-methyltestosterone (58-18-4) → 15α-hydroxy-17α-methyltestosterone + 11α,17β-Dihydroxy-17α-methylandrost-4-en-3-one (1807-02-9) + 6β,17β-dihydroxy-17α-methylandrost-4-en-3-one (13096-49-6) + 14α-hydroxy-17α-methyltestosterone + 6β,14α-dihydroxy-17α-methyltestosterone + 9α-hydroxy-17α-methyltestosterone + 7α,17β-dihydroxy-17-methyl-4-androsten-3-one (972-50-9)

Guidance literature:

With D-glucose; In water; acetone; at 25 ℃; Reagent/catalyst; Microbiological reaction;

DOI:10.1016/j.bioorg.2018.03.021

Reference yield: 6.0%

17-methyltestosterone (58-18-4) → 15α-hydroxy-17α-methyltestosterone + 12β-hydroxy-17α-methyltestosterone + 11α,17β-Dihydroxy-17α-methylandrost-4-en-3-one (1807-02-9) + 6β,17β-dihydroxy-17α-methylandrost-4-en-3-one (13096-49-6) + 15β-hydroxy-17α-methyltestosterone + 7α,17β-dihydroxy-17-methyl-4-androsten-3-one (972-50-9)

Guidance literature:

With D-glucose; In water; acetone; at 25 ℃; Reagent/catalyst; Microbiological reaction;

DOI:10.1016/j.bioorg.2018.03.021

upstream raw materials:

17-methyltestosterone

Downstream raw materials:

Δ⁹⁽¹¹⁾-methyltestosterone

17β-hydroxy-17α-methyl-androst-4-ene-3,11-dione

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