AC1L8VA0
(8R,9S,13S,14S)-2,4,16-tribromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: (16alpha)-2,4,1|2,4,16alpha-Tribromoestrone|2,4,16alpha-Tribromo Estrone|2,4,16 alpha -Tribromoestrone|NCI60_029596|2,4,16-Tribromo-3-hydroxyestra-1,3,5(10)-trien-17-one|(8R,9S,13S,14S)-2,4,16-tribromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one|2,16-Tribromoestra-1,3,5(10)-trien-3-ol-17-one|2,4,16-Tribromo-3-hydroxyestra-1(10),2,4-trien-17-one|(3aS,3bR,9bS,11aS)-2,6,8-tribromo-7-hydroxy-11a-methyl-2H,3H,3aH,3bH,4H,5H,9bH,10H,11H-cyclopenta[a]phenanthren-1-one
| Molecular Formula | C18H19Br3O2 |
|---|---|
| Molecular Weight | 503.89352 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 503.89352 |
| Monoisotopic Mass | 503.89352 |
| Heavy Atoms | 23 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 79258-15-4 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC(C2=O)Br)CCC4=C(C(=C(C=C34)Br)O)Br |
| InChIKey | ADSWXPLGWUHJRG-WASBOFOPSA-N |
Product Overview
AC1L8VA0 (CAS 79258-15-4), with molecular formula C18H19Br3O2 and molecular weight 503.89352 g/mol. IUPAC: (8R,9S,13S,14S)-2,4,16-tribromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
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