Chem
J-GLOBAL ID：200907038484846194   Nikkaji number：J344.567D

(1,2,6,7-3H4)Androst-4-ene-3,17-dione

(1,2,6,7-3H4)アンドロスタ-4-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： C19H22[3H]4O2
Molecular formula furigana： C19-H26-O2
Molecular weight： 294.447
InChI： InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1/i3T,4T,7T,9T/t3?,4?,7?,9?,14-,15-,16-,18-,19-
InChI key： AEMFNILZOJDQLW-PMPKNJDSSA-N
SMILES： C1([3H])C([3H])C2=CC(=O)C([3H])C([3H])[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CCC3=O)[C@H]12
Systematic name  (3)：
  • (1,2,6,7-3H4)アンドロスタ-4-エン-3,17-ジオン
  • (3aS,3bR,9aR,9bS,11aS)-9a,11a-ジメチル(4,5,8,9-3H4)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,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,9aR,9bS,11aS)-9a,11a-dimethyl(4,5,8,9-3H4)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-dione
Other name (2)：
  • (1,2,6,7-3H4)Androst-4-ene-3,17-dione
  • (1,2,6,7-3H4)Androsta-4-ene-3,17-dione
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