Chem
J-GLOBAL ID：200907051499543100   Nikkaji number：J986.655H

5,11,17,23-Tetratert-octyl-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tert-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/c1-49(2,3)29-53(13,14)33-21-37-45(57)38(22-33)70(63,64)40-24-35(55(17,18)31-51(7,8)9)26-42(47(40)59)72(67,68)44-28-36(56(19,20)32-52(10,11)12)27-43(48(44)60)71(65,66)41-25-34(54(15,16)30-50(4,5)6)23-39(46(41)58)69(37,61)62/h21-28,57-60H,29-32H2,1-20H3
InChI key： ZHAWPOZJNOINRU-UHFFFAOYSA-N
SMILES： CC(C)(C)CC(C)(C)c1cc2c(O)c(c1)[S+2]([O-])([O-])c1cc(cc(c1O)[S+2]([O-])([O-])c1cc(cc(c1O)[S+2]([O-])([O-])c1cc(cc(c1O)[S+2]2([O-])[O-])C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C
Systematic name  (5)：
  • 5,11,17,23-テトラキス(1,1,3,3-テトラメチルブチル)-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-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
  • 5,11,17,23-テトラ-tert-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
  • 5,11,17,23-テトラtert-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-テトラキス(2,4,4-トリメチルペンタン-2-イル)-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-tetrakis(2,4,4-trimethylpentan-2-yl)-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 (3)：
  • 5,11,17,23-Tetrakis(1,1,3,3-tetramethylbutyl)-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-Tetra-tert-octyl-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-Tetratert-octyl-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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