Chemical Compound

(2S,3S,4S,5R,6S)-6-{[(1R,3aS,3bR,9bS,11aS)-1-ethynyl-1-hydroxy-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

CAS Registry Number 60134-76-1
(2S,3S,4S,5R,6S)-6-{[(1R,3aS,3bR,9bS,11aS)-1-ethynyl-1-hydroxy-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-ethynyl-1-hydroxy-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
8,518 克
纯度
98.4 %
CAS
60134-76-1

化合物标识与属性

CAS
60134-76-1
PubChem CID
9982244
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O
Canonical SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)ccc4[C@H]3CC[C@@]21C

名称与同义词

  • W9MHL6CNMK
  • Ethynylestradiol-3-o-glucuronide
  • UNII-W9MHL6CNMK
  • Ethynyl estradiol 3-b-D-glucuronide
  • RefChem:1085247
  • 60134-76-1
  • 17alpha-Ethynylestradiol 3-glucuronide
  • Ethynylestradiol 3--D-Glucuronide
  • orb2941919
  • Ethinyl Estradiol-3-Glucuronide
  • 17a-Ethynylestradiol 3-Glucuronide
  • CHEMBL2074825
  • Ethynyl Estradiol 3-beta-D-Glucuronide
  • Ethynyl Estradiol 3-?-D-Glucuronide
  • Ethynyl Estradiol 3-|A-D-Glucuronide
  • 17|A-Ethynylestradiol 3-Glucuronide
  • ZINC77292079
  • CID9982244
  • ME16723
  • CID 9982244
  • Ethynyl Estradiol 3- beta -D-Glucuronide
  • HY-137194
  • FT-0668002
  • J2.732.398G
  • 17.ALPHA.-ETHYNYLESTRADIOL 3-GLUCURONIDE
  • beta-D-Glucopyranosiduronic acid, (17alpha)-17-hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-3-yl
  • Q27292506
  • (2S,3S,4S,5R,6S)-6-[[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
  • (17a)-17-Hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-3-yl b-D-glucopyranosiduronic acid
  • 3-(beta-D-Glucopyranuronosyloxy)-17alpha-ethynylestra-1,3,5(10)-triene-17-ol
  • (17|A)-17-Hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-3-yl |A-D-Glucopyranosiduronic Acid
  • (17alpha)-17-Hydroxy-19-norpregna-1,3,5(10)-trien-20-yn-3-yl beta-D-Glucopyranosiduronic Acid
  • (2S,3S,4S,5R,6S)-6-{[(1R,3aS,3bR,9bS,11aS)-1-ethynyl-1-hydroxy-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
  • .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (17.ALPHA.)-17-HYDROXY-19-NORPREGNA-1,3,5(10)-TRIEN-20-YN-3-YL