Chem
J-GLOBAL ID：200907095895691772   Nikkaji number：J1.544.408H

Bis[4-[[6-(acryloyloxy)hexyl]oxy]benzoic acid]androsta-5-ene-3β,17β-diyl ester

ビス[4-[[6-(アクリロイルオキシ)ヘキシル]オキシ]安息香酸]アンドロスタ-5-エン-3β,17β-ジイル
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： C51H66O10
Molecular formula furigana： C51-H66-O10
Molecular weight： 839.079
InChI： InChI=1S/C51H66O10/c1-5-46(52)58-33-13-9-7-11-31-56-39-20-15-36(16-21-39)48(54)60-41-27-29-50(3)38(35-41)19-24-42-43-25-26-45(51(43,4)30-28-44(42)50)61-49(55)37-17-22-40(23-18-37)57-32-12-8-10-14-34-59-47(53)6-2/h5-6,15-23,41-45H,1-2,7-14,24-35H2,3-4H3/t41-,42-,43-,44-,45-,50-,51-/m0/s1
InChI key： UQEFKEDQTJEFSG-XPNQOTQBSA-N
SMILES： C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC(=O)c3ccc(OCCCCCCOC(=O)C=C)cc3)[C@@H]1CC[C@@H]2OC(=O)c1ccc(OCCCCCCOC(=O)C=C)cc1
Systematic name  (3)：
  • ビス[4-[[6-(アクリロイルオキシ)ヘキシル]オキシ]安息香酸]アンドロスタ-5-エン-3β,17β-ジイル
  • (1S,3aS,3bR,7S,9aR,9bS,11aS)-9a,11a-ジメチル-1-(4-{[6-(プロパ-2-エノイルオキシ)ヘキシル]オキシ}ベンゾイルオキシ)-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-7-イル 4-{[6-(プロパ-2-エノイルオキシ)ヘキシル]オキシ}ベンゾアート
  • (1S,3aS,3bR,7S,9aR,9bS,11aS)-9a,11a-dimethyl-1-(4-{[6-(prop-2-enoyloxy)hexyl]oxy}benzoyloxy)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 4-{[6-(prop-2-enoyloxy)hexyl]oxy}benzoate
Other name (1)：
  • Bis[4-[[6-(acryloyloxy)hexyl]oxy]benzoic acid]androsta-5-ene-3β,17β-diyl ester
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