Chemical Compound

J2.089.705H

J2.089.705H chemical structure
Primary Record

J2.089.705H

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
21574444
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4)OC5=C(C(=C6CC[C@@H]7[C@@H](C6=C5)CC[C@]8([C@H]7CC[C@@H]8O)C)C9=C(C=C1CC[C@@H]2[C@@H](C1=C9)CC[C@]1([C@H]2CC[C@@H]1O)C)O)O
Canonical SMILES
C[C@]12CC[C@@H]3c4ccc(Oc5cc6c(c(-c7cc8c(cc7O)CC[C@@H]7[C@@H]8CC[C@]8(C)[C@@H](O)CC[C@@H]78)c5O)CC[C@@H]5[C@@H]6CC[C@]6(C)[C@@H](O)CC[C@@H]56)cc4CC[C@H]3[C@@H]1CC[C@@H]2O

Names & Synonyms

  • J2.089.705H
  • 2-[17beta-Hydroxyestra-1(10),2,4-triene-3-yloxy]-[4,2 -bi[17beta-estradiol]]
  • (1S,3aS,3bR,9bS,11aS)-6-[(1S,3aS,3bR,9bS,11aS)-1,7-dihydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-8-yl]-8-{[(1S,3aS,3bR,9bS,11aS)-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol