Chemical Compound

(2S,3S,4S,5R,6S)-6-{[(1R,3aS,3bR,9bS,11aS)-1-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-11a-methyl-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-{[(1R,3aS,3bR,9bS,11aS)-1-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-11a-methyl-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-{[(1R,3aS,3bR,9bS,11aS)-1-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-11a-methyl-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
5460168
SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=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]2CC[C@H]3[C@@H]4CCc5cc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)ccc5[C@H]4CC[C@]23C)O[C@H](CO)[C@@H](O)[C@@H]1O

名称与同义词

  • AC1NUSW6
  • 17alphaE217NAG 3G
  • LMST05010027
  • CID5460168
  • J1.128.988F
  • C04806
  • 17alpha-(N-Acetyl-D-glucosaminyl)-estradiol 3-D-glucuronoside
  • 17alpha-(N-acetyl-D-glucosaminyl)estradiol 3-glucuronide
  • 17alpha-(N-acetyl-D-glucosaminyl)estradiol 3-glucosiduronic acid
  • 17alpha-Estradiol 17-N-acetylglucosaminide 3-glucuronide
  • 17alpha-(2-acetamido-2-deoxy-beta-D-glucopyranosyloxy)estra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
  • (2S,3S,4S,5R,6S)-6-[[(8R,9S,13S,14S,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-{[(1R,3aS,3bR,9bS,11aS)-1-{[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
  • 17alpha-[[2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy]estra-1(10),2,4-triene-3-yl beta-D-glucopyranosiduronic acid
  • 17alpha-[[2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy]estra-1,3,5(10)-triene-3-yl beta-D-glucopyranosiduronic acid