AC1L5Q6F
(8R,9S,13S,14S)-3-hydroxy-13-methyl-2,4-dinitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 3-hydroxy-2,4-dinitroestra-1(10),2,4-trien-17-one|J2.457.230G|2,4-Dinitro-3-hydroxyestra-1,3,5(10)-triene-17-one|2,4-dinitro-3-diethylamino-6-trifluoromethylchlorobenzene|(8R,9S,13S,14S)-3-hydroxy-13-methyl-2,4-dinitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one|(8S,9S,13S,14S)-3-hydroxy-13-methyl-2,4-dinitro-7,8,9,11,12,|(3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-6,8-dinitro-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one|(8S,9S,13S,14S)-3-hydroxy-13-methyl-2,4-dinitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
| Molecular Formula | C18H20N2O6 |
|---|---|
| Molecular Weight | 360.13214 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 360.13214 |
| Monoisotopic Mass | 360.13214 |
| Heavy Atoms | 26 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 42979-83-9 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C(C(=C(C=C34)[N+](=O)[O-])O)[N+](=O)[O-] |
| InChIKey | OUTYSJWUIGIGQH-HIONPOMWSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1L5Q6F (CAS 42979-83-9), with molecular formula C18H20N2O6 and molecular weight 360.13214 g/mol. IUPAC: (8R,9S,13S,14S)-3-hydroxy-13-methyl-2,4-dinitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
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