Chemical Compound

1,3-diethyl 2-[(4-{2-[(1S,3aS,3bR,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethynyl}phenyl)formamido]propanedioate

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1,3-diethyl 2-[(4-{2-[(1S,3aS,3bR,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethynyl}phenyl)formamido]propanedioate 结构式
Primary record

1,3-diethyl 2-[(4-{2-[(1S,3aS,3bR,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethynyl}phenyl)formamido]propanedioate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
11678631
SMILES
CCOC(=O)C(C(=O)OCC)NC(=O)C1=CC=C(C=C1)C#C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=C4C=CC(=C5)O)C)O
Canonical SMILES
CCOC(=O)C(NC(=O)c1ccc(C#C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc1)C(=O)OCC

名称与同义词

  • CID11678631
  • CID 11678631
  • J2.245.491I
  • [4-[(Estradiol-17alpha-yl)ethynyl]benzoylamino]malonic acid diethyl ester
  • 1,3-diethyl 2-[(4-{2-[(1S,3aS,3bR,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethynyl}phenyl)formamido]propanedioate