Chemical Compound

(1S,3aS,3bR,9bS,11aS)-9-(6-amino-3H-purin-3-yl)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,6,7-triol

CAS Registry Number 428506-88-1
(1S,3aS,3bR,9bS,11aS)-9-(6-amino-3H-purin-3-yl)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,6,7-triol 结构式
Primary record

(1S,3aS,3bR,9bS,11aS)-9-(6-amino-3H-purin-3-yl)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,6,7-triol

库存
4,410 克
纯度
99.8 %
CAS
428506-88-1

化合物标识与属性

CAS
428506-88-1
PubChem CID
136242376
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C(=CC(=C4O)O)N5C=NC(=N)C6=C5N=CN6
Canonical SMILES
C[C@]12CC[C@@H]3c4c(-n5cnc(=N)c6[nH]cnc65)cc(O)c(O)c4CC[C@H]3[C@@H]1CC[C@@H]2O

名称与同义词

  • 4-Hydroxy Estradiol 1-N3-Adenine
  • 4-OH-E2-1-N3Ade
  • 4-OHE2-1-N3Ade
  • 428506-88-1
  • DTXSID20857770
  • LWOXXVDIEGNZNP-GXPADDFNSA-N
  • ZINC103569039
  • FT-0669607
  • J2.776.087B
  • (8R,9S,13S,14S,17S)-1-(6-imino-7H-purin-3-yl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,4,17-triol
  • (17beta)-1-(6-Amino-3H-purin-3-yl)estra-1,3,5(10)-triene-3,4,17-triol
  • 1-(6-Amino-3H-purin-3-yl)estra-1,3,5(10)-triene-3,4,17beta-triol
  • 1-(6-Amino-3H-purine-3-yl)estra-1(10),2,4-triene-3,4,17beta-triol
  • (17|A)-1-(6-Amino-3H-purin-3-yl)estra-1,3,5(10)-triene-3,4,17-triol
  • (17ss)-1-(6-Amino-3H-purin-3-yl)estra-1,3,5(10)-triene-3,4,17-triol; 4-OH-E2-1-N3Ade;
  • (1S,3aS,3bR,9bS,11aS)-9-(6-amino-3H-purin-3-yl)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,6,7-triol