(6alpha,11beta,16alpha,17alpha)-17-(Acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-androsta-1,4-diene-17-carbothioicAcid

Base Information

• Chemical Name: (6alpha,11beta,16alpha,17alpha)-17-(Acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-androsta-1,4-diene-17-carbothioicAcid
• CAS No.: 80473-93-4
• Molecular Formula: C₂₃H₂₈F₂O₅S
• Molecular Weight: 454.535
• DSSTox Substance ID: DTXSID701108868

Synonyms:80473-93-4;(6alpha,11beta,16alpha,17alpha)-17-(Acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-androsta-1,4-diene-17-carbothioicAcid;SCHEMBL7905898;DTXSID701108868;(6a,11b,16a,17a)-17-(Acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-androsta-1,4-diene-17-carbothioic Acid;(6alpha,11beta,16alpha,17alpha)-17-(Acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carbothioic acid

Chemical Property of (6alpha,11beta,16alpha,17alpha)-17-(Acetyloxy)-6,9-difluoro-11-hydroxy-16-methyl-3-oxo-androsta-1,4-diene-17-carbothioicAcid

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 454.16255149
• Heavy Atom Count: 31
• Complexity: 933

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• Canonical SMILES: CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)S)OC(=O)C)C)O)F)C)F
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)S)OC(=O)C)C)O)F)C)F

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