3,3-Ethylenedioxy-17beta-hydroxy-17alpha-ethinylandrost-5-ene

Base Information

• Chemical Name: 3,3-Ethylenedioxy-17beta-hydroxy-17alpha-ethinylandrost-5-ene
• CAS No.: 50407-76-6
• Molecular Formula: C₂₃H₃₂O₃
• Molecular Weight: 356.505
• European Community (EC) Number: 610-527-3
• DSSTox Substance ID: DTXSID101147197
• Nikkaji Number: J27.155A

Synonyms:SCHEMBL5925263;BWEWWHQUVVQNTN-GUCLMQHLSA-N;DTXSID101147197;3,3-Ethylenedioxy-17beta-hydroxy-17alpha-ethinylandrost-5-ene;50407-76-6;Pregn-5-en-20-yn-3-one, 17-hydroxy-, cyclic 1,2-ethanediyl acetal, (17alpha)-

Chemical Property of 3,3-Ethylenedioxy-17beta-hydroxy-17alpha-ethinylandrost-5-ene

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 356.23514488
• Heavy Atom Count: 26
• Complexity: 696

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC12CCC3(CC1=CCC4C2CCC5(C4CCC5(C#C)O)C)OCCO3
• Isomeric SMILES: C[C@]12CCC3(CC1=CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@]5(C#C)O)C)OCCO3

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