17alpha-Estradiol, 3-acetate

Base Information

• Chemical Name: 17alpha-Estradiol, 3-acetate
• CAS No.: 15068-98-1
• Molecular Formula: C₂₀H₂₆O₃
• Molecular Weight: 314.425
• DSSTox Substance ID: DTXSID80859856
• Nikkaji Number: J943.747I

Synonyms:17alpha-Estradiol, 3-acetate;SCHEMBL2099105;DTXSID80859856;15068-98-1

Chemical Property of 17alpha-Estradiol, 3-acetate

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 314.18819469
• Heavy Atom Count: 23
• Complexity: 476

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4O)C
• Isomeric SMILES: CC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@H]4O)C

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