Chem
J-GLOBAL ID：200907079936101190   Nikkaji number：J1.900.968H

Estren

エストレン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C18H28O2
Molecular formula furigana： C18-H28-O2
Molecular weight： 276.420
InChI： InChI=1S/C18H28O2/c1-17-8-2-3-16(17)15-5-4-12-11-18(19,20)10-7-13(12)14(15)6-9-17/h11,13-16,19-20H,2-10H2,1H3/t13-,14+,15+,16-,17-/m0/s1
InChI key： AQAKTYSRDQBSLM-BIVLZKPYSA-N
SMILES： C[C@@]12CCC[C@H]1[C@@H]1CCC3=CC(O)(O)CC[C@@H]3[C@H]1CC2
Systematic name  (3)：
  • エストラ-4-エン-3,3-ジオール
  • (3aS,3bR,9aR,9bS,11aS)-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7,7-ジオール
  • (3aS,3bR,9aR,9bS,11aS)-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-7,7-diol
Other name (3)：
  • Estra-4-ene-3,3-diol
  • エストレン
  • Estren
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