1-(Acetyloxy)-17-oxoestra-1,3,5(10)-trien-3-yl acetate

Base Information

• Chemical Name: 1-(Acetyloxy)-17-oxoestra-1,3,5(10)-trien-3-yl acetate
• CAS No.: 97232-23-0
• Molecular Formula: C₂₂H₂₆O₅
• Molecular Weight: 370.445
• DSSTox Substance ID: DTXSID901231172

Synonyms:SCHEMBL11579497;DTXSID901231172;Estra-1,3,5(10)-trien-17-one, 1,3-bis(acetyloxy)-;1-(acetyloxy)-17-oxoestra-1,3,5(10)-trien-3-yl acetate;97232-23-0

Chemical Property of 1-(Acetyloxy)-17-oxoestra-1,3,5(10)-trien-3-yl acetate

Chemical Property:

• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 370.17802393
• Heavy Atom Count: 27
• Complexity: 643

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Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)OC1=CC2=C(C3CCC4(C(C3CC2)CCC4=O)C)C(=C1)OC(=O)C
• Isomeric SMILES: CC(=O)OC1=CC2=C([C@H]3CC[C@]4([C@H]([C@@H]3CC2)CCC4=O)C)C(=C1)OC(=O)C

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