Chem
J-GLOBAL ID：200907083031303527   Nikkaji number：J1.454.883A

25,26,27,28-Tetramethoxy-5,11,17,23-tetra-tert-butyl-2,8,14,20-tetrathiapentacyclo[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 2,8,14,20-tetraoxide

25,26,27,28-テトラメトキシ-5,11,17,23-テトラ-tert-ブチル-2,8,14,20-テトラチアペンタシクロ[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2,8,14,20-テトラオキシド
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： C44H56O4[O-]4[S+]4
Molecular formula furigana： C44-H56-O8-S4
Molecular weight： 841.160
InChI： InChI=1S/C44H56O8S4/c1-41(2,3)25-17-29-37(49-13)30(18-25)54(46)32-20-27(43(7,8)9)22-34(39(32)51-15)56(48)36-24-28(44(10,11)12)23-35(40(36)52-16)55(47)33-21-26(42(4,5)6)19-31(53(29)45)38(33)50-14/h17-24H,1-16H3
InChI key： ASBSYKSKYFJUKJ-UHFFFAOYSA-N
SMILES： COc1c2cc(cc1[S+]([O-])c1cc(cc([S+]([O-])c3cc(cc([S+]([O-])c4cc(cc([S+]2[O-])c4OC)C(C)(C)C)c3OC)C(C)(C)C)c1OC)C(C)(C)C)C(C)(C)C
Systematic name  (5)：
  • 5,11,17,23-テトラ-tert-ブチル-25,26,27,28-テトラメトキシ-2,8,14,20-テトラチアペンタシクロ[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-2,8,14,20-テトラオキシド
  • 5,11,17,23-テトラ-tert-ブチル-25,26,27,28-テトラメトキシ-2,8,14,20-テトラチアペンタシクロ[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2,8,14,20-テトラオキシド
  • 25,26,27,28-テトラメトキシ-5,11,17,23-テトラ-tert-ブチル-2,8,14,20-テトラチアペンタシクロ[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2,8,14,20-テトラオキシド
  • 5,11,17,23-テトラ-tert-ブチル-25,26,27,28-テトラメトキシ-2,8,14,20-テトラチアペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-ドデカエン-2,8,14,20-テトライウム-2,8,14,20-テトラキス(オラート)
  • 5,11,17,23-tetra-tert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-2,8,14,20-tetraium-2,8,14,20-tetrakis(olate)
Other name (3)：
  • 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrathiapentacyclo[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-2,8,14,20-tetraoxide
  • 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetramethoxy-2,8,14,20-tetrathiapentacyclo[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 2,8,14,20-tetraoxide
  • 25,26,27,28-Tetramethoxy-5,11,17,23-tetra-tert-butyl-2,8,14,20-tetrathiapentacyclo[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 2,8,14,20-tetraoxide
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