Chem
J-GLOBAL ID：200907003325131534   Nikkaji number：J1.462.801K

p-Hexanoylcalix(4)arene

p-ヘキサノイルカリックス[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： C52H64O8
Molecular formula furigana： C52-H64-O8
Molecular weight： 817.076
InChI： InChI=1S/C52H64O8/c1-5-9-13-17-45(53)33-21-37-29-39-23-34(46(54)18-14-10-6-2)25-41(50(39)58)31-43-27-36(48(56)20-16-12-8-4)28-44(52(43)60)32-42-26-35(47(55)19-15-11-7-3)24-40(51(42)59)30-38(22-33)49(37)57/h21-28,57-60H,5-20,29-32H2,1-4H3
InChI key： ZDWWOZHOFVCQKB-UHFFFAOYSA-N
SMILES： CCCCCC(=O)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2O)c5O)C(=O)CCCCC)c4O)C(=O)CCCCC)c3O)C(=O)CCCCC
Systematic name  (7)：
  • 5,11,17,23-テトラキスヘキサノイルペンタシクロ[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-25,26,27,28-テトラオール
  • 1,1′,1′′,1′′′-[25,26,27,28-テトラヒドロキシペンタシクロ[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-テトライル]テトラ(1-ヘキサノン)
  • 5,11,17,23-テトラヘキサノイルペンタシクロ[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-25,26,27,28-テトラオール
  • 5,11,17,23-テトラヘキサノイル-25,26,27,28-テトラヒドロキシペンタシクロ[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
  • 1,1′,1′′,1′′′-[25,26,27,28-テトラヒドロキシペンタシクロ[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-テトライル]テトラキス(1-ヘキサノン)
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Other name (7)：
  • 5,11,17,23-Tetrakishexanoylpentacyclo[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-tetrol
  • 1,1′,1′′,1′′′-[25,26,27,28-Tetrahydroxypentacyclo[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-5,11,17,23-tetryl]tetra(1-hexanone)
  • 5,11,17,23-Tetrahexanoylpentacyclo[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-tetrol
  • p-ヘキサノイルカリックス[4]アレーン
  • p-Hexanoylcalix[4]arene
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