Chem
J-GLOBAL ID：200907049321333418   Nikkaji number：J1.544.404E

3,4-Bis[2-(acryloyloxy)ethoxy]benzoic acid 17β-hydroxy-1,3,5(10)-estratriene-3-yl ester

3,4-ビス[2-(アクリロイルオキシ)エトキシ]安息香酸17β-ヒドロキシ-1,3,5(10)-エストラトリエン-3-イル
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： C35H40O9
Molecular formula furigana： C35-H40-O9
Molecular weight： 604.696
InChI： InChI=1S/C35H40O9/c1-4-32(37)42-18-16-40-29-12-7-23(21-30(29)41-17-19-43-33(38)5-2)34(39)44-24-8-10-25-22(20-24)6-9-27-26(25)14-15-35(3)28(27)11-13-31(35)36/h4-5,7-8,10,12,20-21,26-28,31,36H,1-2,6,9,11,13-19H2,3H3/t26-,27-,28+,31+,35+/m1/s1
InChI key： JOGUUQPNZRYDRD-XWBVRHLSSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccc(OCCOC(=O)C=C)c(OCCOC(=O)C=C)c5)ccc34)[C@@H]1CC[C@@H]2O
Systematic name  (3)：
  • 3,4-ビス[2-(アクリロイルオキシ)エトキシ]安息香酸17β-ヒドロキシ-1,3,5(10)-エストラトリエン-3-イル
  • (1S,3aS,3bR,9bS,11aS)-1-ヒドロキシ-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-7-イル 3,4-ビス[2-(プロパ-2-エノイルオキシ)エトキシ]ベンゾアート
  • (1S,3aS,3bR,9bS,11aS)-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 3,4-bis[2-(prop-2-enoyloxy)ethoxy]benzoate
Other name (1)：
  • 3,4-Bis[2-(acryloyloxy)ethoxy]benzoic acid 17β-hydroxy-1,3,5(10)-estratriene-3-yl ester
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