Chem
J-GLOBAL ID：201307007478715479   Nikkaji number：J3.177.241I

3,17β-Dimethoxy-17-(4-phenyl-1,3-butadiynyl)estra-1,3,5(10)-triene

3,17β-ジメトキシ-17-(4-フェニル-1,3-ブタジイニル)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： C30H32O2
Molecular formula furigana： C30-H32-O2
Molecular weight： 424.584
InChI： InChI=1S/C30H32O2/c1-29-19-16-26-25-15-13-24(31-2)21-23(25)12-14-27(26)28(29)17-20-30(29,32-3)18-8-7-11-22-9-5-4-6-10-22/h4-6,9-10,13,15,21,26-28H,12,14,16-17,19-20H2,1-3H3/t26-,27-,28+,29+,30+/m1/s1
InChI key： DBSDAAZTNRWPSO-ZNOUKXQUSA-N
SMILES： COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC)C#CC#Cc4ccccc4)[C@@H]3CCc2c1
Systematic name  (3)：
  • 3,17β-ジメトキシ-17-(4-フェニル-1,3-ブタジイニル)エストラ-1,3,5(10)-トリエン
  • {4-[(1S,3aS,3bR,9bS,11aS)-1,7-ジメトキシ-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-1-イル]ブタ-1,3-ジイン-1-イル}ベンゼン
  • {4-[(1S,3aS,3bR,9bS,11aS)-1,7-dimethoxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]buta-1,3-diyn-1-yl}benzene
Other name (1)：
  • 3,17β-Dimethoxy-17-(4-phenyl-1,3-butadiynyl)estra-1,3,5(10)-triene
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