Chemical Compound

(2S,3S,4S,5R,6S)-6-{[(1R,3aS,3bR,9bS,11aS)-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

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(2S,3S,4S,5R,6S)-6-{[(1R,3aS,3bR,9bS,11aS)-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 结构式
Primary record

(2S,3S,4S,5R,6S)-6-{[(1R,3aS,3bR,9bS,11aS)-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101599745
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@]2(O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC=CC=C35
Canonical SMILES
C[C@]12CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]1CC[C@@]2(O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O

名称与同义词

  • Estradiol-3-(beta-D-glucuronide)
  • J389.406A
  • (17beta-Hydroxyestra-1,3,5(10)-trien-17-yl)beta-D-glucopyranosiduronic acid
  • (2S,3S,4S,5R,6S)-6-{[(1R,3aS,3bR,9bS,11aS)-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid