11-Keto-3-methoxy-estra-1,3,5(10),8-tetraen-17beta-ol

Base Information

• Chemical Name: 11-Keto-3-methoxy-estra-1,3,5(10),8-tetraen-17beta-ol
• CAS No.: 17401-32-0
• Molecular Formula: C₁₉H₂₂O₃
• Molecular Weight: 298.382
• ChEMBL ID: CHEMBL469671
• DSSTox Substance ID: DTXSID501192520

Synonyms:CHEMBL469671;SCHEMBL4586799;WYXWPRWDZBSBBO-IEZWGBDMSA-N;11-keto-3-methoxy-estra-1,3,5(10),8-tetraen-17beta-ol;DTXSID501192520;17401-32-0

Chemical Property of 11-Keto-3-methoxy-estra-1,3,5(10),8-tetraen-17beta-ol

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 298.15689456
• Heavy Atom Count: 22
• Complexity: 523

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MSDS Files:

Useful:

• Canonical SMILES: CC12CC(=O)C3=C(C1CCC2O)CCC4=C3C=CC(=C4)OC
• Isomeric SMILES: C[C@]12CC(=O)C3=C([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC

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