Chemical Compound

(2S,3S,4S,5R,6S)-6-[[(17R)-17-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R,6S)-6-[[(17R)-17-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 结构式
Primary record

(2S,3S,4S,5R,6S)-6-[[(17R)-17-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-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
440489
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2CCC3C2(CCC4C3CCC5=C4C=CC(=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)C)CO)O)O
Canonical SMILES
CC(=O)N[C@H]1[C@H](O[C@@H]2CCC3C4CCc5cc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)ccc5C4CCC32C)O[C@H](CO)[C@@H](O)[C@@H]1O

名称与同义词

  • AC1L99EO
  • CHEBI:182943
  • CID440489
  • LMST05010006
  • C04806
  • 17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronide
  • 17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside
  • 17-(N-Acetyl-D-glucosaminyl)-estra-1,3,5(10)-triene-3,17alpha-diol 3-D-glucuronide
  • (2S,3S,4S,5R,6S)-6-[[(17R)-17-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid