Estra-5(10),9(11)-dien-3-one, 17-hydroxy-17-(1-propyn-1-yl)-, cyclic 1,2-ethanediyl acetal, (17beta)-

Base Information

• Chemical Name: Estra-5(10),9(11)-dien-3-one, 17-hydroxy-17-(1-propyn-1-yl)-, cyclic 1,2-ethanediyl acetal, (17beta)-
• CAS No.: 84371-69-7
• Molecular Formula: C₂₃H₃₀O₃
• Molecular Weight: 354.489
• UNII: 69X4PJS3P8
• DSSTox Substance ID: DTXSID001115169
• Mol file: 84371-69-7.mol

Synonyms:84371-69-7;Estra-5(10),9(11)-dien-3-one, 17-hydroxy-17-(1-propyn-1-yl)-, cyclic 1,2-ethanediyl acetal, (17beta)-;69X4PJS3P8;SCHEMBL13417481;DTXSID001115169;3,3-Ethylenedioxy-17alpha-(prop-1-ynyl)estra-5,9(11)-dien-17beta-ol;(17beta)-17-Hydroxy-17-(1-propynyl)estra-5(10),9(11)-dien-3-one cyclic 1,2-ethanediyl acetal

Chemical Property of Estra-5(10),9(11)-dien-3-one, 17-hydroxy-17-(1-propyn-1-yl)-, cyclic 1,2-ethanediyl acetal, (17beta)-

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 354.21949481
• Heavy Atom Count: 26
• Complexity: 757

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC#CC1(CCC2C1(CC=C3C2CCC4=C3CCC5(C4)OCCO5)C)O
• Isomeric SMILES: CC#C[C@@]1(CC[C@@H]2[C@@]1(CC=C3[C@H]2CCC4=C3CCC5(C4)OCCO5)C)O