Chem
J-GLOBAL ID：200907082818386334   Nikkaji number：J1.544.399E

3,4-Bis[2-(acryloyloxy)ethoxy]benzoic acid 17-oxoandrosta-5-ene-3β-yl ester

3,4-ビス[2-(アクリロイルオキシ)エトキシ]安息香酸17-オキソアンドロスタ-5-エン-3β-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： C36H44O9
Molecular formula furigana： C36-H44-O9
Molecular weight： 620.739
InChI： InChI=1S/C36H44O9/c1-5-32(38)43-19-17-41-29-11-7-23(21-30(29)42-18-20-44-33(39)6-2)34(40)45-25-13-15-35(3)24(22-25)8-9-26-27-10-12-31(37)36(27,4)16-14-28(26)35/h5-8,11,21,25-28H,1-2,9-10,12-20,22H2,3-4H3/t25-,26-,27-,28-,35-,36-/m0/s1
InChI key： DTKSYYPYDVSPLE-HXLHMMTQSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC(=O)c3ccc(OCCOC(=O)C=C)c(OCCOC(=O)C=C)c3)[C@@H]1CCC2=O
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17-オキソアンドロスタ-5-エン-3β-イル
  • (3aS,3bR,7S,9aR,9bS,11aS)-9a,11a-ジメチル-1-オキソ-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,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
  • (3aS,3bR,7S,9aR,9bS,11aS)-9a,11a-dimethyl-1-oxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,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 17-oxoandrosta-5-ene-3β-yl ester
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