Chem
J-GLOBAL ID：200907035922272083   Nikkaji number：J1.411.360F

d4E1

[2,4,16,16-2H4]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： C18H18[2H]4O2
Molecular formula furigana： C18-H22-O2
Molecular weight： 274.396
InChI： InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1/i3D,7D2,10D
InChI key： DNXHEGUUPJUMQT-QSPUTOQOSA-N
SMILES： c1([2H])cc2[C@H]3CC[C@@]4(C)[C@@H](CC([2H])([2H])C4=O)[C@@H]3CCc2c([2H])c1O
Systematic name  (5)：
  • (2,4,16,16-2H4)エストロン
  • 3-ヒドロキシ-1,3,5(10)-(2,4,16,16-2H4)エストラトリエン-17-オン
  • 3-ヒドロキシ(2,4,16,16-2H4)エストラ-1(10),2,4-トリエン-17-オン
  • (3aS,3bR,9bS,11aS)-7-ヒドロキシ-11a-メチル(2,2,6,8-2H4)-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-オン
  • (3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl(2,2,6,8-2H4)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
Other name (6)：
  • (2,4,16,16-2H4)Estrone
  • d4E1
  • [2,4,16,16-2H4]エストロン
  • [2,4,16,16-2H4]Estrone
  • 3-Hydroxy-1,3,5(10)-(2,4,16,16-2H4)estratriene-17-one
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