(9beta,11beta,16alpha,17alpha)-9,11-Epoxy-17-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid

Base Information

• Chemical Name: (9beta,11beta,16alpha,17alpha)-9,11-Epoxy-17-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid
• CAS No.: 159264-49-0
• Molecular Formula: C21H26O5
• Molecular Weight: 358.4
• European Community (EC) Number: 605-176-8
• DSSTox Substance ID: DTXSID901121503

Synonyms:DTXSID901121503;(9beta,11beta,16alpha,17alpha)-9,11-Epoxy-17-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid;159264-49-0

Chemical Property of (9beta,11beta,16alpha,17alpha)-9,11-Epoxy-17-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 358.17802393
• Heavy Atom Count: 26
• Complexity: 798

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C35C(O5)CC2(C1(C(=O)O)O)C)C
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]35[C@@H](O5)C[C@@]2([C@]1(C(=O)O)O)C)C

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