(11beta)-9-Bromo-11,17-dihydroxypregn-4-ene-3,20-dione

Base Information

• Chemical Name: (11beta)-9-Bromo-11,17-dihydroxypregn-4-ene-3,20-dione
• CAS No.: 102445-69-2
• Molecular Formula: C₂₁H₂₉BrO₄
• Molecular Weight: 425.363
• European Community (EC) Number: 600-314-3
• DSSTox Substance ID: DTXSID101223997
• Mol file: 102445-69-2.mol

Synonyms:DTXSID101223997;(11beta)-9-Bromo-11,17-dihydroxypregn-4-ene-3,20-dione;102445-69-2

Chemical Property of (11beta)-9-Bromo-11,17-dihydroxypregn-4-ene-3,20-dione

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 424.12492
• Heavy Atom Count: 26
• Complexity: 717

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)CCC43C)Br)O)C)O
• Isomeric SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)Br)O)C)O