Chem
J-GLOBAL ID：200907086418386730   Nikkaji number：J7.600G

Braxorone

ブラキソロン
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： C21H27BrO3
Molecular formula furigana： C21-H27-BR-O3
Molecular weight： 407.348
InChI： InChI=1S/C21H27BrO3/c1-12(23)15-6-7-16-17-5-4-13-10-14(24)8-9-20(13,3)21(17,22)18(25)11-19(15,16)2/h10,15-17H,4-9,11H2,1-3H3/t15-,16+,17+,19-,20+,21+/m1/s1
InChI key： NWFOHSCPTMLQIH-GHMDXEKNSA-N
SMILES： CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Br)C(=O)C[C@]12C
Systematic name  (3)：
  • 9-ブロモプレグナ-4-エン-3,11,20-トリオン
  • (1S,3aS,3bS,9aS,9bR,11aS)-1-アセチル-9b-ブロモ-9a,11a-ジメチル-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,3aS,3bS,9aS,9bR,11aS)-1-acetyl-9b-bromo-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,10-dione
Other name (5)：
  • 9α-ブロモ-11-オキソプロゲステロン
  • 9α-Bromo-11-oxoprogesterone
  • Braxorone
  • ブラキソロン
  • 9-Bromopregn-4-ene-3,11,20-trione
CAS registry number： 2527-11-9
Regulation number (1)：
  • TU5514000
KEGG COMPOUND： C14647
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