Pregna-1,4-diene-3,20-dione, 11-hydroxy-17,21-[(1-methoxypentylidene)bis(oxy)]-, (11beta)-

Base Information

• Chemical Name: Pregna-1,4-diene-3,20-dione, 11-hydroxy-17,21-[(1-methoxypentylidene)bis(oxy)]-, (11beta)-
• CAS No.: 39791-30-5
• Molecular Formula: C₂₇H₃₈O₆
• Molecular Weight: 458.595
• DSSTox Substance ID: DTXSID801125671
• Nikkaji Number: J355.024I

Synonyms:SCHEMBL11580728;DTXSID801125671;39791-30-5;Pregna-1,4-diene-3,20-dione, 11-hydroxy-17,21-[(1-methoxypentylidene)bis(oxy)]-, (11beta)-

Chemical Property of Pregna-1,4-diene-3,20-dione, 11-hydroxy-17,21-[(1-methoxypentylidene)bis(oxy)]-, (11beta)-

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 458.26683893
• Heavy Atom Count: 33
• Complexity: 908

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MSDS Files:

Useful:

• Canonical SMILES: CCCCC1(OCC(=O)C2(O1)CCC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)OC
• Isomeric SMILES: CCCCC1(OCC(=O)[C@@]2(O1)CC[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)OC

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