Chem
J-GLOBAL ID：200907006338961659   Nikkaji number：J1.886.851B

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 2,14-dioxide

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2,14-ジオキシド
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-]2S2[S+]2
Molecular formula furigana： C68-H72-O6-S4
Molecular weight： 1113.560
InChI： InChI=1S/C68H72O6S4/c1-65(2,3)49-33-53-61(71-41-45-25-17-13-18-26-45)57(37-49)77(69)58-38-51(67(7,8)9)35-55(63(58)73-43-47-29-21-15-22-30-47)76-56-36-52(68(10,11)12)40-60(64(56)74-44-48-31-23-16-24-32-48)78(70)59-39-50(66(4,5)6)34-54(75-53)62(59)72-42-46-27-19-14-20-28-46/h13-40H,41-44H2,1-12H3
InChI key： TZVUXDQHLXTFGP-UHFFFAOYSA-N
SMILES： CC(C)(C)c1cc2Sc3cc(cc([S+]([O-])c4cc(cc(Sc5cc(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2,14-ジオキシド
  • 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-2,14-ジイウム-2,14-ビス(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(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-2,14-diium-2,14-bis(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 2,14-dioxide
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