Chem
J-GLOBAL ID：200907019486956154   Nikkaji number：J1.886.853I

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-trioxide

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-トリオキシド
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-]3S[S+]3
Molecular formula furigana： C68-H72-O7-S4
Molecular weight： 1129.560
InChI： InChI=1S/C68H72O7S4/c1-65(2,3)49-33-53-61(72-41-45-25-17-13-18-26-45)55(35-49)77(69)57-37-51(67(7,8)9)39-59(63(57)74-43-47-29-21-15-22-30-47)79(71)60-40-52(68(10,11)12)38-58(64(60)75-44-48-31-23-16-24-32-48)78(70)56-36-50(66(4,5)6)34-54(76-53)62(56)73-42-46-27-19-14-20-28-46/h13-40H,41-44H2,1-12H3
InChI key： KVKRVOSFRAQRBI-UHFFFAOYSA-N
SMILES： CC(C)(C)c1cc2Sc3cc(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  (3)：
  • 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-トリオキシド
  • 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-トリイウム-2,8,14-トリス(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-triium-2,8,14-tris(olate)
Other name (1)：
  • 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-trioxide
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