Chem
J-GLOBAL ID：200907008946023834   Nikkaji number：J392.547A

3-Acetoxyestra-1,3,5(10)-trien-6-one

3-アセトキシエストラ-1,3,5(10)-トリエン-6-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： C20H24O3
Molecular formula furigana： C20-H24-O3
Molecular weight： 312.409
InChI： InChI=1S/C20H24O3/c1-12(21)23-13-5-6-14-15-7-9-20(2)8-3-4-18(20)16(15)11-19(22)17(14)10-13/h5-6,10,15-16,18H,3-4,7-9,11H2,1-2H3/t15-,16-,18+,20+/m1/s1
InChI key： YLFVYSAUUSVIOI-HBXLWWENSA-N
SMILES： CC(=O)Oc1ccc2[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3CC(=O)c2c1
Systematic name  (3)：
  • 3-アセトキシエストラ-1,3,5(10)-トリエン-6-オン
  • (3aS,3bS,9bS,11aS)-11a-メチル-5-オキソ-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-7-イル アセタート
  • (3aS,3bS,9bS,11aS)-11a-methyl-5-oxo-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate
Other name (1)：
  • 3-Acetoxyestra-1,3,5(10)-trien-6-one
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