3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one
(8R,9S,13S,14S)-3-hydroxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
Also Known As: 2-Nitroestrone|6-Methyl-2-nitro-3-pyridinol|3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one|J1.060.583K|2-Nitro-3-hydroxyestra-1(10),2,4-triene-17-one|2-Nitro-3-hydroxyestra-1,3,5(10)-triene-17-one|3-hydroxy-2-nitro-1,3,5(10)-estratrien-17-one|3-Hydroxy-2-nitroestra-1(10),2,4-trien-17-one|3-Hydroxy-2-nitroestra-1,3,5(10)-triene-17-one|(8R,9S,13S,14S)-3-hydroxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one|(8R,9S,13S,14S)-3-Hydroxy-13-methyl-2-nitro-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one|(3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-8-nitro-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
| Molecular Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.14706 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 315.14706 |
| Monoisotopic Mass | 315.14706 |
| Heavy Atoms | 23 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 6632-74-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=C(C=C34)[N+](=O)[O-])O |
| InChIKey | CXYPVKBFRMXQDI-JPVZDGGYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one (CAS 6632-74-2), with molecular formula C18H21NO4 and molecular weight 315.14706 g/mol. IUPAC: (8R,9S,13S,14S)-3-hydroxy-13-methyl-2-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one.
3-Hydroxy-2-nitroestra-1,3,5(10)-trien-17-one is a custom synthesis product. We offer services from milligram to kilogram scale.
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