Chem
J-GLOBAL ID:200907097273287365   Nikkaji number:J1.304.462G

25,26,27,28-Tetrakis(benzyloxy)-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-テトラキス(ベンジルオキシ)-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: C68H72O4[O-]4[S+]4
Molecular formula furigana: C68-H72-O8-S4
Molecular weight: 1145.560
InChI: InChI=1S/C68H72O8S4/c1-65(2,3)49-33-53-61(73-41-45-25-17-13-18-26-45)54(34-49)78(70)56-36-51(67(7,8)9)38-58(63(56)75-43-47-29-21-15-22-30-47)80(72)60-40-52(68(10,11)12)39-59(64(60)76-44-48-31-23-16-24-32-48)79(71)57-37-50(66(4,5)6)35-55(77(53)69)62(57)74-42-46-27-19-14-20-28-46/h13-40H,41-44H2,1-12H3
InChI key: GXLVOURCCFZCKD-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cc2[S+]([O-])c3cc(cc([S+]([O-])c4cc(cc([S+]([O-])c5cc(cc([S+]([O-])c(c1)c2OCc1ccccc1)c5OCc1ccccc1)C(C)(C)C)c4OCc1ccccc1)C(C)(C)C)c3OCc1ccccc1)C(C)(C)C
Systematic name  (4):
  • 5,11,17,23-テトラ-tert-ブチル-25,26,27,28-テトラキス(ベンジルオキシ)-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-テトラキス(ベンジルオキシ)-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
  • 25,26,27,28-テトラキス(ベンジルオキシ)-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(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-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)
  • 25,26,27,28-tetrakis(benzyloxy)-5,11,17,23-tetra-tert-butyl-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9(27),10,12,15(26),16,18,21(25),22-dodecaene-2,8,14,20-tetraium-2,8,14,20-tetrakis(olate)
Other name (2):
  • 5,11,17,23-Tetra-tert-butyl-25,26,27,28-tetrakis(benzyloxy)-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-Tetrakis(benzyloxy)-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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