Chem
J-GLOBAL ID：200907076294156530   Nikkaji number：J1.415.151F

17β-Acetyl(2,3,4-13C3)androsta-4-ene-3-one

17β-アセチル(2,3,4-13C3)アンドロスタ-4-エン-3-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： C18[13C]3H30O2
Molecular formula furigana： C21-H30-O2
Molecular weight： 317.446
InChI： InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1/i8+1,12+1,15+1
InChI key： RJKFOVLPORLFTN-TZDZRSEPSA-N
SMILES： CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=[13CH][13C](=O)[13CH2]C[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • 17β-アセチル(2,3,4-13C3)アンドロスタ-4-エン-3-オン
  • (1S,3aS,3bS,9aS,9bS,11aS)-1-アセチル-9a,11a-ジメチル(6,7,8-13C3)-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-オン
  • (1S,3aS,3bS,9aS,9bS,11aS)-1-acetyl-9a,11a-dimethyl(6,7,8-13C3)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (1)：
  • 17β-Acetyl(2,3,4-13C3)androsta-4-ene-3-one
Thsaurus map：
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