Chem
J-GLOBAL ID：200907053783467590   Nikkaji number：J530.371K

NSC-72825

16-エストロン
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： C18H22O2
Molecular formula furigana： C18-H22-O2
Molecular weight： 270.372
InChI： InChI=1S/C18H22O2/c1-18-7-6-15-14-5-3-12(19)8-11(14)2-4-16(15)17(18)9-13(20)10-18/h3,5,8,15-17,19H,2,4,6-7,9-10H2,1H3/t15-,16-,17+,18-/m1/s1
InChI key： VUQQUDLAAJRNMK-ZJPYXAASSA-N
SMILES： C[C@@]12CC(=O)C[C@H]1[C@@H]1CCc3cc(O)ccc3[C@H]1CC2
Systematic name  (3)：
  • 3-ヒドロキシエストラ-1,3,5(10)-トリエン-16-オン
  • (3aS,3bS,9bS,11aR)-7-ヒドロキシ-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-2-オン
  • (3aS,3bS,9bS,11aR)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-one
Other name (4)：
  • 3-Hydroxyestra-1,3,5(10)-trien-16-one
  • 16-エストロン
  • 16-Estrone
  • NSC-72825
CAS registry number： 3601-97-6
KEGG COMPOUND： C15215
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