Chemical Compound

(2S)-3-{[(3aS,3bR,9bS,11aS)-7,8-dihydroxy-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-6-yl]sulfanyl}-2-acetamidopropanoic acid

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(2S)-3-{[(3aS,3bR,9bS,11aS)-7,8-dihydroxy-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-6-yl]sulfanyl}-2-acetamidopropanoic acid 结构式
Primary record

(2S)-3-{[(3aS,3bR,9bS,11aS)-7,8-dihydroxy-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-6-yl]sulfanyl}-2-acetamidopropanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
102586424
SMILES
CC(=O)N[C@H](CSC1=C2CC[C@@H]3[C@@H](C2=CC(=C1O)O)CC[C@]4([C@H]3CCC4=O)C)C(=O)O
Canonical SMILES
CC(=O)N[C@H](CSc1c(O)c(O)cc2c1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12)C(=O)O

名称与同义词

  • J994.997F
  • 4-[[(2S)-2-(Acetylamino)-3-hydroxy-3-oxopropyl]thio]-2-hydroxyestrone
  • (2S)-3-{[(3aS,3bR,9bS,11aS)-7,8-dihydroxy-11a-methyl-1-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-6-yl]sulfanyl}-2-acetamidopropanoic acid