5-Androstenetriol

Base Information

• Chemical Name: 5-Androstenetriol
• CAS No.: 4150-30-5
• Molecular Formula: C19H30 O3
• Molecular Weight: 306.445
• Hs Code.: 29061990
• DSSTox Substance ID: DTXSID50194387
• Nikkaji Number: J15.172F
• Wikidata: Q27161728
• Metabolomics Workbench ID: 35377
• Mol file: 4150-30-5.mol

Synonyms:5-androstene-3 beta,16 alpha,17 beta-triol;5-androstene-3,16,17-triol

Chemical Property of 5-Androstenetriol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 449.8°Cat760mmHg
• Flash Point: 205°C
• PSA: 60.69000
• Density: 1.19g/cm³
• LogP: 2.64180
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 306.21949481
• Heavy Atom Count: 22
• Complexity: 501

Purity/Quality:

95%-98% ^*data from raw suppliers

3BETA,16ALPHA,17BETA-TRIHYDROXY-5-ANDROSTENE 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(C4O)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]([C@@H]4O)O)C)O

Technology Process of 5-Androstenetriol

There total 13 articles about 5-Androstenetriol 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) → Etiocholanolone (53-42-9) + cis-androsterone (53-41-8) + 5-androstenediol (521-17-5,1963-03-7,4593-57-1,4593-58-2,14504-94-0,16895-59-3,47122-33-8,64162-67-0,75767-22-5,139973-51-6,151284-19-4) + 5-androstene-3β,16α,17β-triol (4150-30-5)

Guidance literature:

aus dem Harn von Menschen nach der Injektion;

Reference yield:

→ Androstentriol (4150-30-5,14167-53-4,14474-06-7,23409-40-7,25126-70-9,77550-23-3)

Guidance literature:

aus Metabolismus v. 16α-Hydroxydehydroisoandrosteron;

DOI:10.1021/bi00859a023

Reference yield:

→ Androst-5-en-3α,16α,17β-triol (4150-30-5,14167-53-4,14474-06-7,23409-40-7,25126-70-9,77550-23-3)

Guidance literature:

aus Metabolismus v. 16α-Hydroxydehydroisoandrosteron, S.2044,2048;

DOI:10.1021/bi00859a023

upstream raw materials:

dehydroepiandrosterone

3β,16α,17β-triacetoxy-androst-5-ene

benzoyloxy-16α benzoyloxy-3β androstene-5 one-17

17-oxoandrost-5-ene-3β,16α-diyl diacetate

Refernces

• 1、 Cherest, M.,Lusinchi, X.. "Action de l'anhydride acetique et des chlorures de benzoyle et de p-toluene sulfonyle sur des nitrones derivees de ceto-17 steroides. Conditions conduisant a un rearrangement ou a une fonctionnalisation". . p. 227 - 232. Retrieved 2007/10/02.
• 2、 AOKI,YAMAMURA,TAKEI,MORI. "SYNTHESIS OF 16-OXYGENATED ANDROST-5-EN-3-BETA-OL DERIVATIVES.". . p. 808 - 812. Retrieved 2007/10/11.