Chem
J-GLOBAL ID：201707013570370208   Nikkaji number：J3.540.693J

5,11,17,23-Tetraoctyl-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-25,26,27,28-tetraol 2,2,8,8,14,14,20,20-octaoxide

5,11,17,23-テトラオクチル-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-25,26,27,28-テトラオール2,2,8,8,14,14,20,20-オクタオキシド
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： C56H80O4[O-]8[S+2]4
Molecular formula furigana： C56-H80-O12-S4
Molecular weight： 1073.480
InChI： InChI=1S/C56H80O12S4/c1-5-9-13-17-21-25-29-41-33-45-53(57)46(34-41)70(63,64)48-36-43(31-27-23-19-15-11-7-3)38-50(55(48)59)72(67,68)52-40-44(32-28-24-20-16-12-8-4)39-51(56(52)60)71(65,66)49-37-42(30-26-22-18-14-10-6-2)35-47(54(49)58)69(45,61)62/h33-40,57-60H,5-32H2,1-4H3
InChI key： IXLODWZVKRXIHV-UHFFFAOYSA-N
SMILES： CCCCCCCCc1cc2c(O)c(c1)[S+2]([O-])([O-])c1cc(CCCCCCCC)cc(c1O)[S+2]([O-])([O-])c1cc(CCCCCCCC)cc(c1O)[S+2]([O-])([O-])c1cc(CCCCCCCC)cc(c1O)[S+2]2([O-])[O-]
Systematic name  (3)：
  • 5,11,17,23-テトラオクチル-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-25,26,27,28-テトラオール2,2,8,8,14,14,20,20-オクタオキシド
  • 25,26,27,28-テトラヒドロキシ-5,11,17,23-テトラオクチル-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),3,5,7(28),9,11,13(27),15,17,19(26),21(25),22-ドデカエン-2,2,8,8,14,14,20,20-オクタイウム-2,2,8,8,14,14,20,20-オクタキス(オラート)
  • 25,26,27,28-tetrahydroxy-5,11,17,23-tetraoctyl-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15,17,19(26),21(25),22-dodecaen-2,2,8,8,14,14,20,20-octaium-2,2,8,8,14,14,20,20-octakis(olate)
Other name (1)：
  • 5,11,17,23-Tetraoctyl-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-25,26,27,28-tetraol 2,2,8,8,14,14,20,20-octaoxide
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