17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione

Base Information

• Chemical Name: 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione
• CAS No.: 13656-78-5
• Molecular Formula: C22H32 O3
• Molecular Weight: 344.494
• European Community (EC) Number: 237-141-4
• DSSTox Substance ID: DTXSID30929477
• Nikkaji Number: J277.971D
• Wikidata: Q82904414
• Mol file: 13656-78-5.mol

Synonyms:13656-78-5;17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione;EINECS 237-141-4;(5R,8S,10S,13S,14S,16S,17R)-17-acetyl-17-hydroxy-10,13,16-trimethyl-2,4,5,6,7,8,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one;SCHEMBL136712;DTXSID30929477;17-Hydroxy-16-methylpregn-9(11)-ene-3,20-dione

Chemical Property of 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione

Chemical Property:

• Boiling Point: 480.8°Cat760mmHg
• Flash Point: 258.7°C
• PSA: 54.37000
• Density: 1.13g/cm³
• LogP: 4.08440
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 344.23514488
• Heavy Atom Count: 25
• Complexity: 664

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3CCC4CC(=O)CCC4(C3=CCC2(C1(C(=O)C)O)C)C
• Isomeric SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C3=CC[C@@]2([C@]1(C(=O)C)O)C)C

Technology Process of 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione

There total 3 articles about 17-Hydroxy-16beta-methyl-5beta-pregn-9(11)-ene-3,20-dione 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:

→ (5R,10S,13S,16S,17R)-17-Acetyl-17-hydroxy-10,13,16-trimethyl-1,2,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one (10110-51-7,10116-21-9,13656-78-5,111954-80-4)

Guidance literature:

16β-Methyl-5β-pregn-9(11)-en-3α,17α-diol-20-on (V), CrO3/H2SO4/Aceton;

Reference yield:

→ (16R,17R)-17-Acetyl-17-hydroxy-10,13,16-trimethyl-1,2,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one (10110-51-7,10116-21-9,13656-78-5,111954-80-4)

Guidance literature:

Diol (I), CrO3;

Reference yield:

→ (5R,8S,10S,13S,14S,16S,17R)-17-Acetyl-17-hydroxy-10,13,16-trimethyl-1,2,4,5,6,7,8,10,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one (13656-78-5)

Guidance literature:

entspr. 3-OH-Verb., CrO3;