Chem
J-GLOBAL ID：200907010162970424   Nikkaji number：J1.544.411H

Bis[4-[[6-(acryloyloxy)hexyl]oxy]benzoic acid]pregna-5-ene-3β,20-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]プレグナ-5-エン-3β,20-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： C53H70O10
Molecular formula furigana： C53-H70-O10
Molecular weight： 867.133
InChI： InChI=1S/C53H70O10/c1-6-48(54)60-34-14-10-8-12-32-58-41-21-16-38(17-22-41)50(56)62-37(3)45-26-27-46-44-25-20-40-36-43(28-30-52(40,4)47(44)29-31-53(45,46)5)63-51(57)39-18-23-42(24-19-39)59-33-13-9-11-15-35-61-49(55)7-2/h6-7,16-24,37,43-47H,1-2,8-15,25-36H2,3-5H3/t37?,43-,44-,45+,46-,47-,52-,53+/m0/s1
InChI key： FAUMCQPIUFIISN-ORRACKKVSA-N
SMILES： CC(OC(=O)c1ccc(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)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]プレグナ-5-エン-3β,20-ジイル
  • 1-[(1S,3aS,3bS,7S,9aR,9bS,11aS)-9a,11a-ジメチル-7-(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-1-イル]エチル 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
  • 1-[(1S,3aS,3bS,7S,9aR,9bS,11aS)-9a,11a-dimethyl-7-(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-1-yl]ethyl 4-{[6-(prop-2-enoyloxy)hexyl]oxy}benzoate
Other name (1)：
  • Bis[4-[[6-(acryloyloxy)hexyl]oxy]benzoic acid]pregna-5-ene-3β,20-diyl ester
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