17-alpha-Butadiynylestra-1,3,5(10)-triene-3,17-beta-diol
(17S)-17-buta-1,3-diynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: 17-alpha-Butadiynylestra-1,3,5(10)-triene-3,17-beta-diol, 17-alpha-Butadiynyl-3,17-beta-dihydroxy-1,3,5(10)-estratriene, ESTRA-1,3,5(10)-TRIENE-3,17-beta-DIOL, 17-alpha-BUTADIYNYL-, (17S)-17-buta-1,3-diynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
| Molecular Formula | C22H24O2 |
|---|---|
| Molecular Weight | 320.17764 g/mol |
| LogP | 3.62 |
| Topological Polar Surface Area | 40.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 320.17764 |
| Heavy Atoms | 24 |
| Complexity | 777 |
Chemical Identifiers
| CAS Number | 2010-52-8 |
|---|---|
| SMILES | CC12CCC3C(C1CC[C@]2(C#CC#C)O)CCC4=C3C=CC(=C4)O |
Product Overview
17-alpha-Butadiynylestra-1,3,5(10)-triene-3,17-beta-diol (CAS 2010-52-8), with molecular formula C22H24O2 and molecular weight 320.17764 g/mol. IUPAC: (17S)-17-buta-1,3-diynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
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