Chem
J-GLOBAL ID：200907081879854520   Nikkaji number：J1.544.409F

3,4-Bis[2-(acryloyloxy)ethoxy]benzoic acid 3,20-dioxopregna-4-ene-21-yl ester

3,4-ビス[2-(アクリロイルオキシ)エトキシ]安息香酸3,20-ジオキソプレグナ-4-エン-21-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： C38H46O10
Molecular formula furigana： C38-H46-O10
Molecular weight： 662.776
InChI： InChI=1S/C38H46O10/c1-5-34(41)46-19-17-44-32-12-7-24(21-33(32)45-18-20-47-35(42)6-2)36(43)48-23-31(40)30-11-10-28-27-9-8-25-22-26(39)13-15-37(25,3)29(27)14-16-38(28,30)4/h5-7,12,21-22,27-30H,1-2,8-11,13-20,23H2,3-4H3/t27-,28-,29-,30+,37-,38-/m0/s1
InChI key： NQYIZMSMBVZWJI-UOOFNXHJSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)COC(=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3,20-ジオキソプレグナ-4-エン-21-イル
  • 2-[(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-ジメチル-7-オキソ-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-1-イル]-2-オキソエチル 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
  • 2-[(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl 3,4-bis[2-(prop-2-enoyloxy)ethoxy]benzoate
Other name (1)：
  • 3,4-Bis[2-(acryloyloxy)ethoxy]benzoic acid 3,20-dioxopregna-4-ene-21-yl ester
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