Chem
J-GLOBAL ID：200907049513705955   Nikkaji number：J893.839C

4-Aminoestra-1,3,5(10)-triene-3,17β-diol

4-アミノエストラ-1,3,5(10)-トリエン-3,17β-ジオール
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： C18H25NO2
Molecular formula furigana： C18-H25-N-O2
Molecular weight： 287.403
InChI： InChI=1S/C18H25NO2/c1-18-9-8-11-10-4-6-15(20)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,16,20-21H,2-3,5,7-9,19H2,1H3/t11-,12-,14+,16+,18+/m1/s1
InChI key： DIDANTCTDBQPRP-ZHIYBZGJSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCc4c(N)c(O)ccc34)[C@@H]1CC[C@@H]2O
Systematic name  (3)：
  • 4-アミノエストラ-1,3,5(10)-トリエン-3,17β-ジオール
  • (1S,3aS,3bR,9bS,11aS)-6-アミノ-11a-メチル-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1,7-ジオール
  • (1S,3aS,3bR,9bS,11aS)-6-amino-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol
Other name (1)：
  • 4-Aminoestra-1,3,5(10)-triene-3,17β-diol
KEGG COMPOUND： C15005
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