19-Hydroxyandrosta-1,4-diene-3,17-dione acetate

Base Information

• Chemical Name: 19-Hydroxyandrosta-1,4-diene-3,17-dione acetate
• CAS No.: 95282-98-7
• Molecular Formula: C21H26O4
• Molecular Weight: 342.435
• DSSTox Substance ID: DTXSID60915040
• Nikkaji Number: J2.692.322K
• Wikidata: Q82885927
• Mol file: 95282-98-7.mol

Synonyms:BRN 2604250;19-Hydroxyandrosta-1,4-diene-3,17-dione acetate;19-Acetoxy-delta(sup 1,4)-androstadiene-3,17-dione;3,17-Dione-19-acetoxy-delta(sup 1,3)-androstadiene;Androsta-1,4-diene-3,17-dione, 19-hydroxy-, acetate;95282-98-7;DTXSID60915040;LS-19328;19-Acetoxyandrosta-1,4-diene-3,17-dione;3,17-Dioxoandrosta-1,4-dien-19-yl acetate

Chemical Property of 19-Hydroxyandrosta-1,4-diene-3,17-dione acetate

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 342.18310931
• Heavy Atom Count: 25
• Complexity: 703

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC12C=CC(=O)C=C1CCC3C2CCC4(C3CCC4=O)C
• Isomeric SMILES: CC(=O)OC[C@]12C=CC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C