4-Estren-17-ol-3-one

Base Information

• Chemical Name: 4-Estren-17-ol-3-one
• CAS No.: 94246-56-7
• Molecular Formula: C₁₈H₂₆O₂
• Molecular Weight: 274.403
• DSSTox Substance ID: DTXSID101338978
• Nikkaji Number: J949.876A

Synonyms:4-estren-17-ol-3-one;SCHEMBL6712655;DTXSID101338978;94246-56-7;(3aS,3bR,9aR,9bS,11aS)-1-Hydroxy-11a-methyl-1,2,3,3a,3b,4,5,8,9,9a,9b,10,11,11a-tetradecahydro-7H-cyclopenta[a]phenanthren-7-one

Chemical Property of 4-Estren-17-ol-3-one

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 274.193280068
• Heavy Atom Count: 20
• Complexity: 466

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2O)CCC4=CC(=O)CC[C@H]34

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