11beta-Hydroxyetiocholanolone

Base Information

• Chemical Name: 11beta-Hydroxyetiocholanolone
• CAS No.: 739-26-4
• Molecular Formula: C19H30 O3
• Molecular Weight: 306.445
• NSC Number: 53897
• UNII: 74B865164G
• DSSTox Substance ID: DTXSID70861589
• Nikkaji Number: J426.683H
• Wikidata: Q27116007
• Mol file: 739-26-4.mol

Synonyms:11 beta-hydroxyandrosterone;11 beta-hydroxyandrosterone, (3alpha,5alpha)-isomer;11 beta-hydroxyandrosterone, (3alpha,5alpha,11alpha)-isomer;11 beta-hydroxyandrosterone, (3alpha,5beta)-isomer;11 beta-hydroxyandrosterone, (3alpha,5beta,11alpha)-isomer;11 beta-hydroxyandrosterone, (3alpha,5beta,11beta)-isomer;11 beta-hydroxyandrosterone, (3beta,5alpha,11beta)-isomer;11 beta-hydroxyandrosterone, (3beta,5beta,11beta)-isomer;11 beta-hydroxyetiocholanolone;11-hydroxyetiocholanolone;3alpha,11beta-dihydroxy-5beta-androstan-17-one

Chemical Property of 11beta-Hydroxyetiocholanolone

Chemical Property:

• PSA: 57.53000
• LogP: 2.92990
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 306.21949481
• Heavy Atom Count: 22
• Complexity: 489

Purity/Quality:

99%, ^*data from raw suppliers

11BETA-HYDROXYETIOCHOLANOLONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC(CC1CCC3C2C(CC4(C3CCC4=O)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]3CCC4=O)C)O)O
• Uses: A metabolite of Etiocholanolone.

Technology Process of 11beta-Hydroxyetiocholanolone

There total 29 articles about 11beta-Hydroxyetiocholanolone 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: 98.0%

5β-pregnane-11β,17α,21-triol-3,20-dione (1482-50-4,71973-95-0) → 11β-hydroxyetiocholanolone (739-26-4)

Guidance literature:

5β-pregnane-11β,17α,21-triol-3,20-dione; With sodium tetrahydroborate; In ethanol; dichloromethane; at 25 - 35 ℃; for 3h;

With water; In ethanol; dichloromethane; acetone;

With sodium periodate; In ethanol; dichloromethane; water; acetone; at 25 - 35 ℃; for 16h;

Reference yield: 79.7%

RU 18760 (64313-94-6) → 11β-hydroxyetiocholanolone (739-26-4)

Guidance literature:

RU 18760; With sodium tetrahydroborate; In ethanol; dichloromethane; at 15 ℃;

With sodium periodate; at 30 ℃;

Reference yield:

→ rac-3β,11β-dihydroxy-5α-androstan-17-one (57-61-4,514-17-0,739-26-4,2551-74-8,2618-30-6,3272-49-9,3461-66-3,4299-92-7,7013-18-5,7162-50-7,7801-12-9,25848-75-3,32212-55-8,91547-81-8,108739-34-0,116698-46-5)

Guidance literature:

With potassium tert-butylate; benzene; Erhitzen mit wss.Dioxan auf 220grad und Erwaermen mit wss.-methanol.NaOH;

DOI:10.1021/ja01605a016

upstream raw materials:

tetrahydrocortisol

β-cortol

3α-acetoxy-11β-hydroxy-5β-androstan-17-one

3α,17-dihydroxy-5β-pregnane-11,20-dione

Downstream raw materials:

11-ketotestosterone

5β-androstane-3,11,17-trione

Refernces

• 1、 -. "NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF". Page/Page column 87; 88. . Retrieved 2015/02/02.
• 2、 -. "METHODS FOR THE PURIFICATION OF DEOXYCHOLIC ACID". . . Retrieved 2011/07/07.