9-Fluoro-17-methyl-5beta-androstane-3alpha,11beta,17beta-triol

Base Information

• Chemical Name: 9-Fluoro-17-methyl-5beta-androstane-3alpha,11beta,17beta-triol
• CAS No.: 53649-14-2
• Molecular Formula: C₂₀H₃₃FO₃
• Molecular Weight: 340.479
• NSC Number: 23596
• DSSTox Substance ID: DTXSID101174708
• Nikkaji Number: J2.788.572A
• Wikidata: Q27115744
• Metabolomics Workbench ID: 54901
• Mol file: 53649-14-2.mol

Synonyms:53649-14-2;9-fluoro-17-methyl-5beta-androstane-3alpha,11beta,17beta-triol;9alpha-Fluoro-17alpha-methyl-5beta-androstane-3alpha,11beta,17-triol;(3alpha,5beta,11beta,17beta)-9-Fluoro-17-methylandrostane-3,11,17-triol;NSC 23596;Androstane-3,11,17-triol, 9-fluoro-17-methyl-, (3alpha,5beta,11beta,17beta)-;(3R,5R,8S,9R,10S,11S,13S,14S,17S)-9-fluoro-10,13,17-trimethyl-2,3,4,5,6,7,8,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11,17-triol;C20H33FO3;C20-H33-F-O3;CHEBI:34003;DTXSID101174708;NSC23596;NSC-23596;Q27115744;Androstane-3,17-triol, 9-fluoro-17-methyl-, (3.alpha.,5.beta.,11.beta.,17.beta.)-

Chemical Property of 9-Fluoro-17-methyl-5beta-androstane-3alpha,11beta,17beta-triol

Chemical Property:

• Vapor Pressure: 2.55E-10mmHg at 25°C
• Boiling Point: 458.2°Cat760mmHg
• Flash Point: 230.9°C
• PSA: 60.69000
• Density: 1.19g/cm³
• LogP: 3.20390
• XLogP3: 3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 340.24137307
• Heavy Atom Count: 24
• Complexity: 541

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2(C(CC4(C3CCC4(C)O)C)O)F)O
• Isomeric SMILES: C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@]4(C)O)C)O)F)O

Technology Process of 9-Fluoro-17-methyl-5beta-androstane-3alpha,11beta,17beta-triol

There total 1 articles about 9-Fluoro-17-methyl-5beta-androstane-3alpha,11beta,17beta-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:

9-fluoro-11β,17β-dihydroxy-17α-methyl-5β-androstan-3-one (53649-13-1) → 9-fluoro-17-methyl-5β-androstane-3α,11β,17β-triol (53649-14-2)

Guidance literature:

With sodium hydroxide; sodium tetrahydroborate;

upstream raw materials:

9-fluoro-11β,17β-dihydroxy-17α-methyl-5β-androstan-3-one