Chem
J-GLOBAL ID：200907085976964980   Nikkaji number：J2.094.137E

3-Hydroxy(1,2,3,4-13C4)estra-1,3,5(10)-triene-17-one

3-ヒドロキシ(1,2,3,4-13C4)エストラ-1,3,5(10)-トリエン-17-オン
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： C14[13C]4H22O2
Molecular formula furigana： C18-H22-O2
Molecular weight： 274.341
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/i3+1,5+1,10+1,12+1
InChI key： DNXHEGUUPJUMQT-JWDRSOQOSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCc4[13cH][13c](O)[13cH][13cH]c34)[C@@H]1CCC2=O
Systematic name  (3)：
  • 3-ヒドロキシ(1,2,3,4-13C4)エストラ-1,3,5(10)-トリエン-17-オン
  • (3aS,3bS,9bS,11aS)-7-ヒドロキシ-11a-メチル(6,7,8,9-13C4)-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,3bS,9bS,11aS)-7-hydroxy-11a-methyl(6,7,8,9-13C4)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-one
Other name (1)：
  • 3-Hydroxy(1,2,3,4-13C4)estra-1,3,5(10)-triene-17-one
Thsaurus map：
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