Chem
J-GLOBAL ID：201007037367737524   Nikkaji number：J2.790.715F

9-Bromo-16α-methyl-pregn-4-ene-3,11,20-trione

9-ブロモ-16α-メチルプレグナ-4-エン-3,11,20-トリオン
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： C22H29BrO3
Molecular formula furigana： C22-H29-BR-O3
Molecular weight： 421.375
InChI： InChI=1S/C22H29BrO3/c1-12-9-17-16-6-5-14-10-15(25)7-8-21(14,4)22(16,23)18(26)11-20(17,3)19(12)13(2)24/h10,12,16-17,19H,5-9,11H2,1-4H3/t12-,16+,17+,19-,20+,21+,22+/m1/s1
InChI key： CTHNQUQSBBJQFV-VMYXTEHFSA-N
SMILES： C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Br)C(=O)C[C@]2(C)[C@H]1C(=O)C
Systematic name  (3)：
  • 9-ブロモ-16α-メチルプレグナ-4-エン-3,11,20-トリオン
  • (1S,2R,3aS,3bS,9aS,9bR,11aS)-1-アセチル-9b-ブロモ-2,9a,11a-トリメチル-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-7,10-ジオン
  • (1S,2R,3aS,3bS,9aS,9bR,11aS)-1-acetyl-9b-bromo-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione
Other name (2)：
  • 9-Bromo-16α-methylpregna-4-ene-3,11,20-trione
  • 9-Bromo-16α-methyl-pregn-4-ene-3,11,20-trione
KEGG COMPOUND： C14918
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