Chem
J-GLOBAL ID:200907001003486806   Nikkaji number:J296.798G

17,21-Bis(acetyloxy)-2-bromo-9,11β-dichloro-6β-fluoro-16β-methylpregna-1,4-diene-3,20-dione

17,21-ビス(アセチルオキシ)-2-ブロモ-9,11β-ジクロロ-6β-フルオロ-16β-メチルプレグナ-1,4-ジエン-3,20-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: C26H30BrCl2FO6
Molecular formula furigana: C26-H30-BR-CL2-F-O6
Molecular weight: 608.320
InChI: InChI=1S/C26H30BrCl2FO6/c1-12-6-15-16-7-19(30)17-8-20(33)18(27)9-23(17,4)25(16,29)21(28)10-24(15,5)26(12,36-14(3)32)22(34)11-35-13(2)31/h8-9,12,15-16,19,21H,6-7,10-11H2,1-5H3/t12-,15-,16-,19+,21-,23-,24-,25-,26-/m0/s1
InChI key: CAPJXOFUERKRLV-NHWDUKQOSA-N
SMILES: C[C@H]1C[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)C(=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C)Br
Systematic name  (3):
  • 17,21-ビス(アセチルオキシ)-2-ブロモ-9,11β-ジクロロ-6β-フルオロ-16β-メチルプレグナ-1,4-ジエン-3,20-ジオン
  • 2-[(1R,2S,3aS,3bS,5R,9aS,9bR,10S,11aS)-1-(アセチルオキシ)-8-ブロモ-9b,10-ジクロロ-5-フルオロ-2,9a,11a-トリメチル-7-オキソ-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-イル]-2-オキソエチル アセタート
  • 2-[(1R,2S,3aS,3bS,5R,9aS,9bR,10S,11aS)-1-(acetyloxy)-8-bromo-9b,10-dichloro-5-fluoro-2,9a,11a-trimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate
Other name (1):
  • 17,21-Bis(acetyloxy)-2-bromo-9,11β-dichloro-6β-fluoro-16β-methylpregna-1,4-diene-3,20-dione
CAS registry number: 57781-61-0
Regulation number (1):
  • EINECS2609598
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