Chem
J-GLOBAL ID：200907033915318032
Nikkaji number：J1.792.860K
p-tert-Octylcalix[6]arene hexaethyl ester
p-tert-オクチルカリックス[6]アレーンヘキサエチルエステル
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
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
Molecular formula： C114H168O18
Molecular formula furigana： C114-H168-O18
Molecular weight： 1826.580
InChI：
InChI=1S/C114H168O18/c1-37-121-91(115)61-127-97-73-43-75-51-86(110(27,28)68-104(10,11)12)53-77(98(75)128-62-92(116)122-38-2)45-79-55-88(112(31,32)70-106(16,17)18)57-81(100(79)130-64-94(118)124-40-4)47-83-59-90(114(35,36)72-108(22,23)24)60-84(102(83)132-66-96(120)126-42-6)48-82-58-89(113(33,34)71-107(19,20)21)56-80(101(82)131-65-95(119)125-41-5)46-78-54-87(111(29,30)69-105(13,14)15)52-76(99(78)129-63-93(117)123-39-3)44-74(97)50-85(49-73)109(25,26)67-103(7,8)9/h49-60H,37-48,61-72H2,1-36H3
InChI key：
AMJATRNCLQGOSY-UHFFFAOYSA-N
SMILES：
CCOC(=O)COc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc7cc(cc(Cc1cc(c2)C(C)(C)CC(C)(C)C)c7OCC(=O)OCC)C(C)(C)CC(C)(C)C)c6OCC(=O)OCC)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 (8)：
- 5,11,17,23,29,35-ヘキサ(1,1,3,3-テトラメチルブチル)ヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン-37,38,39,40,41,42-ヘキサイルヘキサキスオキシヘキサキス(酢酸エチル)
- [5,11,17,23,29,35-ヘキサキス(1,1,3,3-テトラメチルブチル)ヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン-37,38,39,40,41,42-ヘキサイルヘキサキス(オキシ)]ヘキサキス(酢酸エチル)
- 37,38,39,40,41,42-ヘキサキス(エトキシカルボニルメトキシ)-5,11,17,23,29,35-ヘキサ-tert-オクチルヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン
- 5,11,17,23,29,35-ヘキサ-tert-オクチルヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン-37,38,39,40,41,42-ヘキサイルヘキサキスオキシヘキサ酢酸ヘキサエチル
- [5,11,17,23,29,35-ヘキサtert-オクチルヘプタシクロ[31.3.1.13,7.19,13.115,19.121,25.127,31]ドテトラコンタ-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-オクタデカエン-37,38,39,40,41,42-ヘキサイルヘキサオキシ]ヘキサキス(酢酸エチル)
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- 2,2′,2′′,2′′′,2′′′′,2′′′′′-[5,11,17,23,29,35-Hexakis(1,1,3,3-tetramethylbutyl)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecene-37,38,39,40,41,42-hexylhexakis(oxy)]hexakis(acetic acid ethyl) ester
- [5,11,17,23,29,35-Hexatert-octylheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecene-37,38,39,40,41,42-hexylhexaoxy]hexakis(acetic acid ethyl) ester
- 5,11,17,23,29,35-Hexa-tert-octylheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecene-37,38,39,40,41,42-hexylhexakisoxyhexaacetic acid hexaethyl ester
- p-tert-オクチルカリックス[6]アレーンヘキサエチルエステル
- p-tert-Octylcalix[6]arene hexaethyl ester
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