Chemical Compound

(2S,3S,4S,5R,6S)-6-{[(3aS,3bR,9bS,11aS)-6-hydroxy-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R,6S)-6-{[(3aS,3bR,9bS,11aS)-6-hydroxy-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 结构式
Primary record

(2S,3S,4S,5R,6S)-6-{[(3aS,3bR,9bS,11aS)-6-hydroxy-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-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
101608808
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
Canonical SMILES
C[C@]12CC[C@@H]3c4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)c(O)c4CC[C@H]3[C@@H]1CCC2=O

名称与同义词

  • 4-hydroxyestrone 3-glucuronide
  • 4-OHE1 3G
  • 4-hydroxyestrone 3-O-glucuronide
  • CHEBI:137960
  • 4-hydroxyestrone 3-beta-glucuronide
  • 4-hydroxyestrone 3-beta-D-glucuronide
  • 4-hydroxyestrone 3-O-(beta-D-glucuronide)
  • J418.320G
  • 4-hydroxyestrone 3-O-(beta-D-glucuronic acid)
  • 4-Hydroxy-3-(beta-D-glucurono pyranosyloxy)estra-1,3,5(10)-trien-17-one
  • 4-hydroxy-17-oxoestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
  • (2S,3S,4S,5R,6S)-6-{[(3aS,3bR,9bS,11aS)-6-hydroxy-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid