Chem
J-GLOBAL ID：200907001976309576   Nikkaji number：J823.049H

7α-[3-(4-Nitrophenyl)propyl]androsta-1,4-diene-3,17-dione

7α-[3-(4-ニトロフェニル)プロピル]アンドロスタ-1,4-ジエン-3,17-ジオン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C28H33[N+]O3[O-]
Molecular formula furigana： C28-H33-N-O4
Molecular weight： 447.575
InChI： InChI=1S/C28H33NO4/c1-27-14-12-22(30)17-20(27)16-19(5-3-4-18-6-8-21(9-7-18)29(32)33)26-23-10-11-25(31)28(23,2)15-13-24(26)27/h6-9,12,14,17,19,23-24,26H,3-5,10-11,13,15-16H2,1-2H3/t19-,23+,24+,26+,27+,28+/m1/s1
InChI key： BREBSGFQAQMNJM-MANLUGHYSA-N
SMILES： C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](CCCc1ccc(cc1)[N+](=O)[O-])CC1=CC(=O)C=C[C@]31C
Systematic name  (3)：
  • 7α-[3-(4-ニトロフェニル)プロピル]アンドロスタ-1,4-ジエン-3,17-ジオン
  • (3aS,3bR,4R,9aR,9bS,11aS)-9a,11a-ジメチル-4-[3-(4-ニトロフェニル)プロピル]-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1,7-ジオン
  • (3aS,3bR,4R,9aR,9bS,11aS)-9a,11a-dimethyl-4-[3-(4-nitrophenyl)propyl]-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-dione
Other name (1)：
  • 7α-[3-(4-Nitrophenyl)propyl]androsta-1,4-diene-3,17-dione
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