3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one

Base Information

Chemical Name:3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one
CAS No.:6951-91-3
Molecular Formula:C21H34O3
Molecular Weight:334.4929
Hs Code.:
NSC Number:58849
Nikkaji Number:J322.215B
Wikidata:Q27149044
ChEMBL ID:CHEMBL3137800

Synonyms:3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one;CHEBI:79892;6951-91-3;1-[(3R,5R,8R,9S,10S,12S,13S,14S,17S)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone;CHEMBL3137800;NSC58849;NSC-58849;3alpha,12alpha-dihydroxy-5beta-pregnan20-one;Q27149044;Pregnan-20-one,12-dihydroxy-, (3.alpha.,5.beta.,12.alpha.)-

Suppliers and Price of 3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 5 raw suppliers

Chemical Property of 3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one

Chemical Property:

Vapor Pressure:8.52E-11mmHg at 25°C
Boiling Point:469.7°C at 760 mmHg
Flash Point:252°C
Density:1.117g/cm³
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:334.25079494
Heavy Atom Count:24
Complexity:531

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
Isomeric SMILES:CC(=O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

Technology Process of 3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one

There total 18 articles about 3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one 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:

: 15991-93-2
3α,12α-bis(acetoxy)-5Hβ-pregnan-20-one

: 6951-91-3
3α,12α-dihydroxy-5β-pregnan-20-one

Guidance literature:: With potassium hydroxide;
DOI:10.1021/ja01273a065

Reference yield:

: 82426-77-5
3α,12α-diacetoxy-24,24-diphenyl-5β-choladiene-(20(22)ξ,23)

: 6951-91-3
3α,12α-dihydroxy-5β-pregnan-20-one

Guidance literature:: Multistep reaction; (i) CrO₃, AcOH, (ii) KOH, MeOH;
DOI:10.1016/S0031-9422(00)85268-1

Reference yield:

: 214191-95-4
3α,12β-dihydroxy-5β-pregnanone-(20)

: 6951-91-3,13914-64-2,13914-66-4,26423-82-5,26423-83-6,26932-41-2
3α,12β-dihydroxy-5β.17βH-pregnanone-(20)

Guidance literature:: With chloroform; ozone; at -10 ℃; Erwaermen des Reaktionsprodukts mit Zink-Pulver und Essigsaeure und Erhitzen des erhaltenen 3α.12β-Diacetoxy-5β-pregnanons-(20) mit K2CO3 und wss.Methanol;