11alpha,17,21-Trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione

Base Information

• Chemical Name: 11alpha,17,21-Trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione
• CAS No.: 85700-75-0
• Molecular Formula: C₂₂H₃₀O₅
• Molecular Weight: 374.477
• European Community (EC) Number: 288-238-3
• UNII: 42T3SU12QH
• DSSTox Substance ID: DTXSID10234990
• Nikkaji Number: J310.771J
• Wikidata: Q27258572
• Mol file: 85700-75-0.mol

Synonyms:85700-75-0;11alpha,17,21-Trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione;UNII-42T3SU12QH;42T3SU12QH;EINECS 288-238-3;(8S,9S,10R,11R,13S,14S,16S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;DTXSID10234990;BETAMETHASONE IMPURITY G [EP IMPURITY];Q27258572;11.ALPHA.,17,21-TRIHYDROXY-16.BETA.-METHYLPREGNA-1,4-DIENE-3,20-DIONE;PREGNA-1,4-DIENE-3,20-DIONE, 11,17,21-TRIHYDROXY-16-METHYL-, (11.ALPHA.,16.BETA.)-

Chemical Property of 11alpha,17,21-Trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 571.8°Cat760mmHg
• Flash Point: 313.7°C
• PSA: 94.83000
• Density: 1.28g/cm³
• LogP: 1.80360
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 374.20932405
• Heavy Atom Count: 27
• Complexity: 754

Purity/Quality:

> 95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)CO)O)C)O)C
• Isomeric SMILES: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3[C@@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)C

Technology Process of 11alpha,17,21-Trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione

There total 4 articles about 11alpha,17,21-Trihydroxy-16beta-methylpregna-1,4-diene-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:

→ 11β.17α.21-Trihydroxy-16α-methyl-pregnadien-(1.4)-dion-(3.20) (2597-76-4,10417-63-7,78761-59-8,79645-29-7,85700-75-0,95340-63-9)

Guidance literature:

16α-Methyl-4-pregnen-11β,17α,21-triol-3,20-dion, Nocordiaasteroids (ATCC 9970)-Kultur;

Reference yield:

→ 11α.17α.21-Trihydroxy-16α-methyl-pregnadien-(1.4)-dion-(3.20) (2597-76-4,10417-63-7,78761-59-8,79645-29-7,85700-75-0,95340-63-9)

Guidance literature:

Mikrobiol. Herst. aus 17,21-Dihydroxy-16α-methyl-pregn-4-en-3,20-dion durch Aspergillus ochraceus u. Bacillus lentus;

Reference yield:

→ (11S,13S,16S,17R)-11,17-Dihydroxy-17-(2-hydroxy-acetyl)-10,13,16-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one (2597-76-4,10417-63-7,78761-59-8,79645-29-7,85700-75-0,95340-63-9)

Guidance literature:

Pregnadien (I), wss. HOAc;