Chem
J-GLOBAL ID：200907035682883110   Nikkaji number：J819.893D

5,11,17,23-Tetrakis(1,1,3,3-tetramethylbutyl)-25,26,27,28-tetrakis(ethoxycarboxymethoxy)calix[4]arene

5,11,17,23-テトラキス(1,1,3,3-テトラメチルブチル)-25,26,27,28-テトラキス(エトキシカルボキシメトキシ)カリックス[4]アレーン
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： C76H112O12
Molecular formula furigana： C76-H112-O12
Molecular weight： 1217.720
InChI： InChI=1S/C76H112O12/c1-25-81-61(77)41-85-65-49-29-51-35-58(74(19,20)46-70(8,9)10)37-53(66(51)86-42-62(78)82-26-2)31-55-39-60(76(23,24)48-72(14,15)16)40-56(68(55)88-44-64(80)84-28-4)32-54-38-59(75(21,22)47-71(11,12)13)36-52(67(54)87-43-63(79)83-27-3)30-50(65)34-57(33-49)73(17,18)45-69(5,6)7/h33-40H,25-32,41-48H2,1-24H3
InChI key： TUODLPDBHHYOBM-UHFFFAOYSA-N
SMILES： CCOC(=O)COc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)C(C)(C)CC(C)(C)C)c5OCC(=O)OCC)C(C)(C)CC(C)(C)C)c4OCC(=O)OCC)C(C)(C)CC(C)(C)C)c3OCC(=O)OCC)C(C)(C)CC(C)(C)C
Systematic name  (4)：
  • [[5,11,17,23-テトラキス(1,1,3,3-テトラメチルブチル)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)]テトラキス(酢酸エチル)
  • [5,11,17,23-テトラキス(1,1,3,3-テトラメチルブチル)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]テトラキス(酢酸エチル)
  • エチル 2-{[26,27,28-トリス(2-エトキシ-2-オキソエトキシ)-5,11,17,23-テトラキス(2,4,4-トリメチルペンタン-2-イル)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
  • ethyl 2-{[26,27,28-tris(2-ethoxy-2-oxoethoxy)-5,11,17,23-tetrakis(2,4,4-trimethylpentan-2-yl)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 (4)：
  • 5,11,17,23-テトラキス(1,1,3,3-テトラメチルブチル)-25,26,27,28-テトラキス(エトキシカルボキシメトキシ)カリックス[4]アレーン
  • 5,11,17,23-Tetrakis(1,1,3,3-tetramethylbutyl)-25,26,27,28-tetrakis(ethoxycarboxymethoxy)calix[4]arene
  • [[5,11,17,23-Tetrakis(1,1,3,3-tetramethylbutyl)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-25,26,27,28-tetrayl]tetrakis(oxy)]tetrakis(acetic acid ethyl) ester
  • [5,11,17,23-Tetrakis(1,1,3,3-tetramethylbutyl)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-25,26,27,28-tetrayltetraoxy]tetrakis(acetic acid ethyl) ester
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