6-Methyl-3,20-dioxo-1,4,9(11)-pregnatrien-17-acetate

Base Information

• Chemical Name: 6-Methyl-3,20-dioxo-1,4,9(11)-pregnatrien-17-acetate
• CAS No.: 130145-14-1
• Molecular Formula: C24H30 O4
• Molecular Weight: 0
• UNII: PX4J7G7S3Y
• DSSTox Substance ID: DTXSID00926610
• Nikkaji Number: J610.637D
• Wikidata: Q82901177
• Mol file: 130145-14-1.mol

Synonyms:6-alpha-methyl-3,20-oxo-1,4,9(11)-pregnatrien-17-alpha-yl acetate;6-methyl-3,20-dioxo-1,4,9(11)-pregnatrien-17-acetate;6-MOPTA

Chemical Property of 6-Methyl-3,20-dioxo-1,4,9(11)-pregnatrien-17-acetate

Chemical Property:

• Vapor Pressure: 1.35E-10mmHg at 25°C
• Boiling Point: 512°Cat760mmHg
• Flash Point: 221.1°C
• Density: 1.17g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 382.21440943
• Heavy Atom Count: 28
• Complexity: 862

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Δ-9(11)-FluorometholoneAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3CCC(C3(CC=C2C4(C1=CC(=O)C=C4)C)C)(C(=O)C)OC(=O)C
• Isomeric SMILES: C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(CC=C2[C@@]4(C1=CC(=O)C=C4)C)C)(C(=O)C)OC(=O)C
• Uses: An impurity of Fluorometholone Acetate (F583150). An impurity of Fluorometholone Acetate (F593150), which is a glucocorticoid; anti-inflammatory.