Chem
J-GLOBAL ID：200907044740442047   Nikkaji number：J861.115G

5,11,17,23-Tetrasulfo-25,26,27,28-tetrakis(carboxymethoxy)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-dodecaene

5,11,17,23-テトラスルホ-25,26,27,28-テトラキス(カルボキシメトキシ)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
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： C36H32O24S4
Molecular formula furigana： C36-H32-O24-S4
Molecular weight： 976.870
InChI： InChI=1S/C36H32O24S4/c37-29(38)13-57-33-17-1-18-6-26(62(48,49)50)8-20(34(18)58-14-30(39)40)3-22-10-28(64(54,55)56)12-24(36(22)60-16-32(43)44)4-23-11-27(63(51,52)53)9-21(35(23)59-15-31(41)42)2-19(33)7-25(5-17)61(45,46)47/h5-12H,1-4,13-16H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)
InChI key： JUMSFKUQLZLREY-UHFFFAOYSA-N
SMILES： OC(=O)COc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)S(=O)(=O)O)c5OCC(=O)O)S(=O)(=O)O)c4OCC(=O)O)S(=O)(=O)O)c3OCC(=O)O)S(=O)(=O)O
Systematic name  (9)：
  • [5,11,17,23-テトラスルホペンタシクロ[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-テトライルテトラオキシ]四酢酸
  • 2,2′,2′′,2′′′-(5,11,17,23-テトラスルホペンタシクロ[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-テトライルテトラオキシ)四酢酸
  • 2,2′,2′′,2′′′-(5,11,17,23-テトラスルホペンタシクロ[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-テトライルテトラオキシ)テトラ酢酸
  • 25,26,27,28-テトラキス(カルボキシメトキシ)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-5,11,17,23-テトラスルホン酸
  • 25,26,27,28-テトラキス(2-オキソ-2-ヒドロキシエトキシ)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-5,11,17,23-テトラスルホン酸
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Other name (6)：
  • [5,11,17,23-Tetrasulfopentacyclo[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-dodecaene-25,26,27,28-tetrayltetraoxy]tetraacetic acid
  • 2,2′,2′′,2′′′-(5,11,17,23-Tetrasulfopentacyclo[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-dodecaene-25,26,27,28-tetrayltetraoxy)tetraacetic acid
  • 25,26,27,28-Tetrakis(carboxymethoxy)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-dodecaene-5,11,17,23-tetrasulfonic acid
  • 25,26,27,28-Tetrakis(2-oxo-2-hydroxyethoxy)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-dodecaene-5,11,17,23-tetrasulfonic acid
  • 5,11,17,23-Tetrasulfo-25,26,27,28-tetrakis(carboxymethoxy)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-dodecaene
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