17-bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate

Base Information

• Chemical Name: 17-bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate
• CAS No.: 61339-41-1
• Molecular Formula: C24H29 Br O5
• Molecular Weight: 477.38806
• European Community (EC) Number: 262-721-9
• DSSTox Substance ID: DTXSID40976851
• Mol file: 61339-41-1.mol

Synonyms:9,11-Epoxy-9H-cyclopenta[a]phenanthrene,pregna-1,4-diene-3,20-dione deriv.

Chemical Property of 17-bromo-9beta,11beta-epoxy-21-hydroxy-16alpha-methylpregna-1,4-diene-3,20-dione 21-acetate

Chemical Property:

• Vapor Pressure: 6.86E-13mmHg at 25°C
• Boiling Point: 567.4°C at 760 mmHg
• Flash Point: 296.9°C
• PSA: 72.97000
• Density: 1.42g/cm³
• LogP: 3.93750
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 476.11984
• Heavy Atom Count: 30
• Complexity: 923

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C35C(O5)CC2(C1(C(=O)COC(=O)C)Br)C)C
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C35C(O5)C[C@@]2([C@]1(C(=O)COC(=O)C)Br)C)C

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