Chemical Compound

(1R,3aS,3bR,9bS,11aS)-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,6,7-triol

CAS Registry Number 50394-90-6
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(1R,3aS,3bR,9bS,11aS)-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,6,7-triol 结构式
Primary record

(1R,3aS,3bR,9bS,11aS)-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,6,7-triol

库存
5,166 克
纯度
99.8 %
CAS
50394-90-6

化合物标识与属性

CAS
50394-90-6
PubChem CID
21114722
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4O)O
Canonical SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4c(ccc(O)c4O)[C@H]3CC[C@@]21C

名称与同义词

  • 4-Hydroxyethynylestradiol
  • 4-Hydroxy Ethynyl Estradiol
  • CHEMBL3544579
  • ZINC5764437
  • J354.041C
  • 17-Ethynylestra-1(10),2,4-triene-3,4,17beta-triol
  • 50394-90-6
  • (17R)-19-Norpregna-1,3,5(10)-trien-20-yne-3,4,17-triol
  • (1R,3aS,3bR,9bS,11aS)-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,6,7-triol