(8R,9S,10R,13S,14S,17S)-3-(2,4-dinitrophenoxy)imino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
(8R,9S,10R,13S,14S,17S)-3-(2,4-dinitrophenoxy)imino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol
| Molecular Formula | C25H31N3O6 |
|---|---|
| Molecular Weight | 469.5 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 133.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 469.22128 |
| Heavy Atoms | 34 |
| Complexity | 909.0 |
Chemical Identifiers
| CAS Number | 33514-83-9 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2O)CCC4=CC(=NOC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])CCC34C |
| InChIKey | QQKWGPOQHNHOBD-KCDBLEJKSA-N |
📖 Product Overview
(8R,9S,10R,13S,14S,17S)-3-(2,4-dinitrophenoxy)imino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol (CAS: 33514-83-9) is a chemical compound with molecular formula C25H31N3O6 and molecular weight 469.5 g/mol. Its IUPAC systematic name is (8R,9S,10R,13S,14S,17S)-3-(2,4-dinitrophenoxy)imino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-ol.
QQKWGPOQHNHOBD-KCDBLEJKSA-N.
SMILES: CC12CCC3C(C1CCC2O)CCC4=CC(=NOC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])CCC34C.
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