Chem
J-GLOBAL ID：200907090050445681   Nikkaji number：J392.553F

3-Methoxy-6β-acetoxyestra-1,3,5(10)-triene

3-メトキシ-6β-アセトキシエストラ-1,3,5(10)-トリエン
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： C21H28O3
Molecular formula furigana： C21-H28-O3
Molecular weight： 328.452
InChI： InChI=1S/C21H28O3/c1-13(22)24-20-12-17-16(8-10-21(2)9-4-5-19(17)21)15-7-6-14(23-3)11-18(15)20/h6-7,11,16-17,19-20H,4-5,8-10,12H2,1-3H3/t16-,17-,19+,20-,21+/m1/s1
InChI key： CYNBCYOGUNLQKZ-SYGLAOGMSA-N
SMILES： COc1ccc2[C@H]3CC[C@]4(C)CCC[C@H]4[C@@H]3C[C@@H](OC(=O)C)c2c1
Systematic name  (3)：
  • 3-メトキシ-6β-アセトキシエストラ-1,3,5(10)-トリエン
  • (3aS,3bS,5R,9bS,11aS)-7-メトキシ-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-5-イル アセタート
  • (3aS,3bS,5R,9bS,11aS)-7-methoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-yl acetate
Other name (1)：
  • 3-Methoxy-6β-acetoxyestra-1,3,5(10)-triene
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