Chem
J-GLOBAL ID：200907087976361901   Nikkaji number：J1.801.594C

1-(4′-Vinylbiphenyl-4-yl)-3-(3-methoxy-17-bromoestra-1(10),2,4,16-tetrene-16-yl)-2-propene-1-one

1-(4′-ビニルビフェニル-4-イル)-3-(3-メトキシ-17-ブロモエストラ-1(10),2,4,16-テトラエン-16-イル)-2-プロペン-1-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： C36H35BrO2
Molecular formula furigana： C36-H35-BR-O2
Molecular weight： 579.578
InChI： InChI=1S/C36H35BrO2/c1-4-23-5-7-24(8-6-23)25-9-11-26(12-10-25)34(38)18-14-28-22-33-32-16-13-27-21-29(39-3)15-17-30(27)31(32)19-20-36(33,2)35(28)37/h4-12,14-15,17-18,21,31-33H,1,13,16,19-20,22H2,2-3H3/t31-,32-,33+,36+/m1/s1
InChI key： RLYAQSMIHHYIOI-VJDBLQRPSA-N
SMILES： COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC(=C4Br)C=CC(=O)c4ccc(cc4)c4ccc(C=C)cc4)[C@@H]3CCc2c1
Systematic name  (3)：
  • 1-(4′-ビニルビフェニル-4-イル)-3-(3-メトキシ-17-ブロモエストラ-1(10),2,4,16-テトラエン-16-イル)-2-プロペン-1-オン
  • 3-[(3aS,3bR,9bS,11aS)-1-ブロモ-7-メトキシ-11a-メチル-3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-2-イル]-1-{4'-エテニル-[1,1'-ビフェニル]-4-イル}プロパ-2-エン-1-オン
  • 3-[(3aS,3bR,9bS,11aS)-1-bromo-7-methoxy-11a-methyl-3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-2-yl]-1-{4'-ethenyl-[1,1'-biphenyl]-4-yl}prop-2-en-1-one
Other name (1)：
  • 1-(4′-Vinylbiphenyl-4-yl)-3-(3-methoxy-17-bromoestra-1(10),2,4,16-tetrene-16-yl)-2-propene-1-one
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