5beta-Androstane-3alpha,11beta,17beta-triol

Base Information

• Chemical Name: 5beta-Androstane-3alpha,11beta,17beta-triol
• CAS No.: 20685-55-6
• Molecular Formula: C19H32O3
• Molecular Weight: 308.461
• NSC Number: 61690
• Nikkaji Number: J400.905C
• Mol file: 20685-55-6.mol

Synonyms:20685-55-6;Androstane-3,11,17-triol #;NSC61690;5beta-androstan-3alpha,11beta,17beta-triol;SCHEMBL14416968;FNICIUSFFWRLFW-SOLHUYMASA-N;NSC-61690;5.beta.-Androstane, 3.alpha., 11.beta., 17.beta.-trihydroxy-

Chemical Property of 5beta-Androstane-3alpha,11beta,17beta-triol

Chemical Property:

• Vapor Pressure: 3.08E-10mmHg at 25°C
• Boiling Point: 456.1°Cat760mmHg
• Flash Point: 207.4°C
• PSA: 60.69000
• Density: 1.163g/cm³
• LogP: 2.72170
• XLogP3: 3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 308.23514488
• Heavy Atom Count: 22
• Complexity: 452

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2C(CC4(C3CCC4O)C)O)O
• Isomeric SMILES: C[C@]12CC[C@H](C[C@H]1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4O)C)O)O

Technology Process of 5beta-Androstane-3alpha,11beta,17beta-triol

There total 9 articles about 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:

11-ketoetiocholanolone (739-27-5) → 5beta-Androstane-3alpha,11beta,17beta-triol (20685-55-6)

Guidance literature:

With acetic acid; platinum; Hydrogenation_.Kochen des Reaktionsprodukts mit methanol. KOH;

DOI:10.1021/ja01098a004

Reference yield:

3α-acetoxy-5β-androstanedione-(11.17) (1660-87-3) → 5beta-Androstane-3alpha,11beta,17beta-triol (20685-55-6)

Guidance literature:

Multi-step reaction with 2 steps

1: glacial acetic acid; platinum / Hydrogenation

2: Hydrolysis

With acetic acid; platinum;

Reference yield:

acetic acid-(11β.17β-dihydroxy-5β-androstanyl-(3α)-ester) → 5beta-Androstane-3alpha,11beta,17beta-triol (20685-55-6)

Guidance literature:

Hydrolysis;

upstream raw materials:

11-ketoetiocholanolone

3α-acetoxy-5β-androstanedione-(11.17)

Downstream raw materials:

5β-androstane-3α,17β-diol