Chem
J-GLOBAL ID：200907003737391816   Nikkaji number：J1.544.406A

3-[4-[[6-(Acryloyloxy)hexyl]oxy]phenyl]propanoic acid [(20S)-20-[[3-[4-[[6-(acryloyloxy)hexyl]oxy]phenyl]-1-oxopropyl]oxy]pregna-5-ene]-3β-yl ester

3-[4-[[6-(アクリロイルオキシ)ヘキシル]オキシ]フェニル]プロパン酸[(20S)-20-[[3-[4-[[6-(アクリロイルオキシ)ヘキシル]オキシ]フェニル]-1-オキソプロピル]オキシ]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： C57H78O10
Molecular formula furigana： C57-H78-O10
Molecular weight： 923.241
InChI： InChI=1S/C57H78O10/c1-6-52(58)64-38-14-10-8-12-36-62-45-23-16-42(17-24-45)20-30-54(60)66-41(3)49-28-29-50-48-27-22-44-40-47(32-34-56(44,4)51(48)33-35-57(49,50)5)67-55(61)31-21-43-18-25-46(26-19-43)63-37-13-9-11-15-39-65-53(59)7-2/h6-7,16-19,22-26,41,47-51H,1-2,8-15,20-21,27-40H2,3-5H3/t41-,47-,48-,49+,50-,51-,56-,57+/m0/s1
InChI key： DOFIRNCSIXFDPR-VSYNNWHNSA-N
SMILES： C[C@H](OC(=O)CCc1ccc(OCCCCCCOC(=O)C=C)cc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCc1ccc(OCCCCCCOC(=O)C=C)cc1
Systematic name  (3)：
  • 3-[4-[[6-(アクリロイルオキシ)ヘキシル]オキシ]フェニル]プロパン酸[(20S)-20-[[3-[4-[[6-(アクリロイルオキシ)ヘキシル]オキシ]フェニル]-1-オキソプロピル]オキシ]プレグナ-5-エン]-3β-イル
  • 6-(4-{3-[(1S)-1-[(1S,3aS,3bS,7S,9aR,9bS,11aS)-9a,11a-ジメチル-7-{[3-(4-{[6-(プロパ-2-エノイルオキシ)ヘキシル]オキシ}フェニル)プロパノイル]オキシ}-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-1-イル]エトキシ]-3-オキソプロピル}フェノキシ)ヘキシル プロパ-2-エノアート
  • 6-(4-{3-[(1S)-1-[(1S,3aS,3bS,7S,9aR,9bS,11aS)-9a,11a-dimethyl-7-{[3-(4-{[6-(prop-2-enoyloxy)hexyl]oxy}phenyl)propanoyl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethoxy]-3-oxopropyl}phenoxy)hexyl prop-2-enoate
Other name (1)：
  • 3-[4-[[6-(Acryloyloxy)hexyl]oxy]phenyl]propanoic acid [(20S)-20-[[3-[4-[[6-(acryloyloxy)hexyl]oxy]phenyl]-1-oxopropyl]oxy]pregna-5-ene]-3β-yl ester
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