16beta-Hydroxydehydroepiandrosterone

Base Information

• Chemical Name: 16beta-Hydroxydehydroepiandrosterone
• CAS No.: 1159-68-8
• Molecular Formula: C19H28 O3
• Molecular Weight: 304.43
• UNII: T4LA2RW2TC
• DSSTox Substance ID: DTXSID901017049
• Nikkaji Number: J564.835A
• Mol file: 1159-68-8.mol

Synonyms:16beta-Hydroxydehydroepiandrosterone;1159-68-8;T4LA2RW2TC;UNII-T4LA2RW2TC;(3S,8R,9S,10R,13S,14S,16S)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one;Androst-5-en-17-one, 3,16-dihydroxy-, (3beta,16beta)-;SCHEMBL6065553;16.BETA.-HYDROXY-DHEA;DTXSID901017049;5-Androsten-3beta,16beta-diol-17-one;16B-HYDROXY-DEHYDROEPIANDROSTERONE;16.BETA.-HYDROXYDEHYDROEPIANDROSTERONE;3beta,16beta-dihydroxy-androst-5-en-17-one;5-ANDROSTENE-3.BETA.,16.BETA.-DIOL-17-ONE;3.BETA.,16.BETA.-DIHYDROXYANDROST-5-EN-17-ONE;ANDROST-5-EN-17-ONE, 3.BETA.,16.BETA.-DIHYDROXY-;ANDROST-5-EN-17-ONE, 3,16-DIHYDROXY-, (3.BETA.,16.BETA.)-

Chemical Property of 16beta-Hydroxydehydroepiandrosterone

Chemical Property:

• Vapor Pressure: 8.56E-11mmHg at 25°C
• Boiling Point: 469.6°Cat760mmHg
• Flash Point: 251.9°C
• PSA: 57.53000
• Density: 1.19g/cm³
• LogP: 2.85000
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 304.20384475
• Heavy Atom Count: 22
• Complexity: 539

Purity/Quality:

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

16-BETA-HYDROXY DEHYDROEPIANDROSTERONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1=CCC3C2CCC4(C3CC(C4=O)O)C)O
• Isomeric SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H](C4=O)O)C)O

Technology Process of 16beta-Hydroxydehydroepiandrosterone

There total 12 articles about 16beta-Hydroxydehydroepiandrosterone 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:

dehydroepiandrosterone (53-43-0) → 5-androsten-3β,7β-diol-17-one (2487-48-1) + C19H28O4 + 16β-hydroxydehydroepiandrosterone (1159-68-8) + 3β,15β-dihydroxyandrost-5-en-17-one

Guidance literature:

With glucose dehydrogenase; 2,3,4,5,6-pentahydroxy-hexanal; Bacillus megaterium P₄₅₀BM₃ enzyme K₁₉ F₈₇V A₂₆₄G variant; In aq. phosphate buffer; at 20 ℃; for 16h; pH=7.9; Catalytic behavior; Enzymatic reaction;

DOI:10.1021/acscatal.0c02077

Reference yield:

dehydroepiandrosterone (53-43-0) → 16β-hydroxydehydroepiandrosterone (1159-68-8)

Guidance literature:

With glucose dehydrogenase; 2,3,4,5,6-pentahydroxy-hexanal; Bacillus megaterium P₄₅₀BM₃ enzyme GV A₁₈₄I variant; In aq. phosphate buffer; at 20 ℃; for 16h; pH=7.9; Catalytic behavior; Enzymatic reaction;

DOI:10.1021/acscatal.0c02077

Reference yield:

dehydroepiandrosterone (53-43-0) → 16β-hydroxydehydroepiandrosterone (1159-68-8) + 3β,15β-dihydroxyandrost-5-en-17-one

Guidance literature:

With glucose dehydrogenase; 2,3,4,5,6-pentahydroxy-hexanal; Bacillus megaterium P₄₅₀BM₃ enzyme R₁₉ F₈₇A W₉₀V variant; In aq. phosphate buffer; at 20 ℃; for 16h; pH=7.9; Catalytic behavior; Enzymatic reaction;

DOI:10.1021/acscatal.0c02077

upstream raw materials:

3beta,16beta-Diacetoxyandrost-5-en-17-one

3β,16β-Diacetoxy-androst-5-en-17-on-semicarbazon

dehydroepiandrosterone