Chem
J-GLOBAL ID：200907010785618004   Nikkaji number：J1.544.407J

3,4-Bis[2-(acryloyloxy)ethoxy]benzoic acid [(20S)-20-hydroxypregna-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[(20S)-20-ヒドロキシプレグナ-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： C38H50O9
Molecular formula furigana： C38-H50-O9
Molecular weight： 650.809
InChI： InChI=1S/C38H50O9/c1-6-34(40)45-20-18-43-32-13-8-25(22-33(32)44-19-21-46-35(41)7-2)36(42)47-27-14-16-37(4)26(23-27)9-10-28-30-12-11-29(24(3)39)38(30,5)17-15-31(28)37/h6-9,13,22,24,27-31,39H,1-2,10-12,14-21,23H2,3-5H3/t24-,27-,28-,29+,30-,31-,37-,38+/m0/s1
InChI key： JHNKUVAMRARSFK-RGNQYVHRSA-N
SMILES： C[C@H](O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)c1ccc(OCCOC(=O)C=C)c(OCCOC(=O)C=C)c1
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[(20S)-20-ヒドロキシプレグナ-5-エン]-3β-イル
  • (1S,3aS,3bS,7S,9aR,9bS,11aS)-1-[(1S)-1-ヒドロキシエチル]-9a,11a-ジメチル-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
  • (1S,3aS,3bS,7S,9aR,9bS,11aS)-1-[(1S)-1-hydroxyethyl]-9a,11a-dimethyl-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 [(20S)-20-hydroxypregna-5-ene]-3β-yl ester
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