Chem
J-GLOBAL ID：200907055142530510   Nikkaji number：J1.544.402I

3-[3,4-Bis[2-(acryloyloxy)ethoxy]phenyl]propanoic acid 17β-acetylandrosta-5-ene-3β-yl ester

3-[3,4-ビス[2-(アクリロイルオキシ)エトキシ]フェニル]プロパン酸17β-アセチルアンドロスタ-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： C40H52O9
Molecular formula furigana： C40-H52-O9
Molecular weight： 676.847
InChI： InChI=1S/C40H52O9/c1-6-36(42)47-22-20-45-34-14-8-27(24-35(34)46-21-23-48-37(43)7-2)9-15-38(44)49-29-16-18-39(4)28(25-29)10-11-30-32-13-12-31(26(3)41)40(32,5)19-17-33(30)39/h6-8,10,14,24,29-33H,1-2,9,11-13,15-23,25H2,3-5H3/t29-,30-,31+,32-,33-,39-,40+/m0/s1
InChI key： NHPSKHWWHCWZNW-RSGAZDTISA-N
SMILES： CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCc1ccc(OCCOC(=O)C=C)c(OCCOC(=O)C=C)c1
Systematic name  (3)：
  • 3-[3,4-ビス[2-(アクリロイルオキシ)エトキシ]フェニル]プロパン酸17β-アセチルアンドロスタ-5-エン-3β-イル
  • 2-[4-(3-{[(1S,3aS,3bS,7S,9aR,9bS,11aS)-1-アセチル-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]オキシ}-3-オキソプロピル)-2-[2-(プロパ-2-エノイルオキシ)エトキシ]フェノキシ]エチル プロパ-2-エノアート
  • 2-[4-(3-{[(1S,3aS,3bS,7S,9aR,9bS,11aS)-1-acetyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-3-oxopropyl)-2-[2-(prop-2-enoyloxy)ethoxy]phenoxy]ethyl prop-2-enoate
Other name (1)：
  • 3-[3,4-Bis[2-(acryloyloxy)ethoxy]phenyl]propanoic acid 17β-acetylandrosta-5-ene-3β-yl ester
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