19-Norpregna-5(10),9(11)-diene-3,20-dione, 17-(acetyloxy)-, cyclic 3-(1,2-ethanediyl acetal)

Base Information

• Chemical Name: 19-Norpregna-5(10),9(11)-diene-3,20-dione, 17-(acetyloxy)-, cyclic 3-(1,2-ethanediyl acetal)
• CAS No.: 240806-31-9
• Molecular Formula: C24H32O5
• Molecular Weight: 400.5
• European Community (EC) Number: 607-316-3
• DSSTox Substance ID: DTXSID601119707

Synonyms:SCHEMBL545559;DTXSID601119707;19-Norpregna-5(10),9(11)-diene-3,20-dione, 17-(acetyloxy)-, cyclic 3-(1,2-ethanediyl acetal);240806-31-9

Chemical Property of 19-Norpregna-5(10),9(11)-diene-3,20-dione, 17-(acetyloxy)-, cyclic 3-(1,2-ethanediyl acetal)

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 400.22497412
• Heavy Atom Count: 29
• Complexity: 817

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1(CCC2C1(CC=C3C2CCC4=C3CCC5(C4)OCCO5)C)OC(=O)C
• Isomeric SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=C3CCC5(C4)OCCO5)C)OC(=O)C

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