Chem
J-GLOBAL ID:200907080298644634   Nikkaji number:J1.544.400B

3,4-Bis[2-(acryloyloxy)ethoxy]benzoic acid pregna-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: C38H50O8
Molecular formula furigana: C38-H50-O8
Molecular weight: 634.810
InChI: InChI=1S/C38H50O8/c1-6-26-11-13-30-29-12-10-27-24-28(15-17-38(27,5)31(29)16-18-37(26,30)4)46-36(41)25-9-14-32(42-19-21-44-34(39)7-2)33(23-25)43-20-22-45-35(40)8-3/h7-10,14,23,26,28-31H,2-3,6,11-13,15-22,24H2,1,4-5H3/t26-,28-,29-,30-,31-,37+,38-/m0/s1
InChI key: GMBWSFUSPFUCLZ-QTJQUKKISA-N
SMILES: CC[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]安息香酸プレグナ-5-エン-3β-イル
  • (1S,3aS,3bS,7S,9aR,9bS,11aR)-1-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,11aR)-1-ethyl-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 pregna-5-ene-3β-yl ester
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