Chem
J-GLOBAL ID：200907057870279061   Nikkaji number：J1.722.950H

2,2′,2′′,2′′′-[5,17-Dibromopentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-25,26,27,28-tetryltetrakis(oxy)]tetraacetic acid tetra-tert-butyl ester

2,2′,2′′,2′′′-[5,17-ジブロモペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25,26,27,28-テトライルテトラキス(オキシ)]四酢酸テトラ-tert-ブチル
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： C52H62Br2O12
Molecular formula furigana： C52-H62-BR2-O12
Molecular weight： 1038.864
InChI： InChI=1S/C52H62Br2O12/c1-49(2,3)63-41(55)27-59-45-31-15-13-16-32(45)20-36-24-40(54)26-38(48(36)62-30-44(58)66-52(10,11)12)22-34-18-14-17-33(46(34)60-28-42(56)64-50(4,5)6)21-37-25-39(53)23-35(19-31)47(37)61-29-43(57)65-51(7,8)9/h13-18,23-26H,19-22,27-30H2,1-12H3
InChI key： JUUSWKQACLFGBT-UHFFFAOYSA-N
SMILES： CC(C)(C)OC(=O)COc1c2Cc3cc(Br)cc(Cc4cccc(Cc5cc(Br)cc(Cc1ccc2)c5OCC(=O)OC(C)(C)C)c4OCC(=O)OC(C)(C)C)c3OCC(=O)OC(C)(C)C
Systematic name  (3)：
  • 2,2′,2′′,2′′′-[5,17-ジブロモペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25,26,27,28-テトライルテトラキス(オキシ)]四酢酸テトラ-tert-ブチル
  • tert-ブチル 2-({5,17-ジブロモ-26,27,28-トリス[2-(tert-ブトキシ)-2-オキソエトキシ]ペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25-イル}オキシ)アセタート
  • tert-butyl 2-({5,17-dibromo-26,27,28-tris[2-(tert-butoxy)-2-oxoethoxy]pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-25-yl}oxy)acetate
Other name (1)：
  • 2,2′,2′′,2′′′-[5,17-Dibromopentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecene-25,26,27,28-tetryltetrakis(oxy)]tetraacetic acid tetra-tert-butyl ester
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