Chemical Compound

(2S,3S,4S,5R,6R)-6-{[(1S,3aS,3bR,9bS,11aS)-11a-methyl-7-(sulfooxy)-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,6R)-6-{[(1S,3aS,3bR,9bS,11aS)-11a-methyl-7-(sulfooxy)-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,6R)-6-{[(1S,3aS,3bR,9bS,11aS)-11a-methyl-7-(sulfooxy)-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
5281895
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)OS(=O)(=O)O
Canonical SMILES
C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O

名称与同义词

  • AC1NQZ93
  • CHEMBL2074585
  • CHEBI:792
  • ESTRADIOL GLUCURONIDE SULFATE
  • Estradiol 17beta-glucuronide 3-sulfate
  • ZINC4099050
  • BDBM50420220
  • LMST05010035
  • 17-beta-estradiol 3-sulfate-17-(beta-D-glucuronide)
  • CID5281895
  • CID 5281895
  • J743.341G
  • 17beta-Estradiol 3-sulfate-17-(beta-D-glucuronide)
  • C11289
  • 17beta-estradiol 3-sulfate 17-(beta-D-glucosiduronic acid)
  • 17beta-estradiol 3-sulfate-17-(beta-D-glucuronoside)
  • Q27105359
  • 17beta-estradiol 3-sulphate-17-(beta-D-glucuronoside)
  • 17beta-estradiol 3-sulfate-17-(beta-delta-glucuronoside)
  • 17beta-estradiol 3-sulphate-17-(beta-delta-glucuronoside)
  • (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(8R,9S,13S,14S,17S)-13-methyl-3-sulfooxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]oxane-2-carboxylic acid
  • 3-(Sulfooxy)estra-1,3,5(10)-triene-17beta-yl beta-D-glucuronide
  • estra-1,3,5(10)-triene-3,17beta-diol 3-sulfate-17-D-glucuronide
  • estra-1,3,5(10)-triene-3,17beta-diol 3-sulfate-17-D-glucuronoside
  • estra-1,3,5(10)-triene-3,17beta-diol 3-sulfate-17-delta-glucuronide
  • estra-1,3,5(10)-triene-3,17beta-diol 3-sulfate-17-delta-glucuronoside
  • Estra-1,3,5(10)-triene-3,17beta-diol 3-sulphate-17-D-glucuronide
  • Estra-1,3,5(10)-triene-3,17beta-diol 3-sulphate-17-D-glucuronoside
  • Estra-1,3,5(10)-triene-3,17beta-diol 3-sulphate-17-delta-glucuronide
  • Estra-1,3,5(10)-triene-3,17beta-diol 3-sulphate-17-delta-glucuronoside
  • 17beta-(beta-D-Glucopyranuronosyloxy)estra-1(10),2,4-triene-3-ol 3-sulfate
  • 3-(Sulfooxy)-1,3,5(10)-estratrien-17beta-yl beta-D-glucopyranosiduronic acid
  • 3-(Sulfooxy)estra-1(10),2,4-triene-17beta-yl beta-D-glucopyranosiduronic acid
  • 3-(Sulfooxy)estra-1,3,5(10)-triene-17beta-yl beta-D-glucopyranosiduronic acid
  • (2S,3S,4S,5R,6R)-6-{[(1S,3aS,3bR,9bS,11aS)-11a-methyl-7-(sulfooxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid