Chem
J-GLOBAL ID:201007075353427793   Nikkaji number:J2.794.083H

6-(Dibromomethylene)-17β-(propanoyloxy)androsta-4-ene-3-one

6-(ジブロモメチレン)-17β-ヒドロキシアンドロスタ-4-エン-3-オンプロピオナート
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: C23H30Br2O3
Molecular formula furigana: C23-H30-BR2-O3
Molecular weight: 514.298
InChI: InChI=1S/C23H30Br2O3/c1-4-20(27)28-19-6-5-16-14-12-15(21(24)25)18-11-13(26)7-9-22(18,2)17(14)8-10-23(16,19)3/h11,14,16-17,19H,4-10,12H2,1-3H3/t14-,16-,17-,19-,22+,23-/m0/s1
InChI key: ZVBFVKPTXOYOHX-WTBQFDOKSA-N
SMILES: CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC(=C(Br)Br)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3):
  • 6-(ジブロモメチレン)-17β-(プロパノイルオキシ)アンドロスタ-4-エン-3-オン
  • (1S,3aS,3bR,9aR,9bS,11aS)-5-(ジブロモメチリデン)-9a,11a-ジメチル-7-オキソ-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-イル プロパノアート
  • (1S,3aS,3bR,9aR,9bS,11aS)-5-(dibromomethylidene)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl propanoate
Other name (3):
  • 6-(Dibromomethylene)-17β-(propanoyloxy)androsta-4-ene-3-one
  • 6-(Dibromomethylene)-17β-hydroxyandrost-4-en-3-one propionate
  • 6-(ジブロモメチレン)-17β-ヒドロキシアンドロスタ-4-エン-3-オンプロピオナート
KEGG COMPOUND: C15359
Thsaurus map:

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