Chem
J-GLOBAL ID：200907003505069802
Nikkaji number：J1.691.197F
5,11,17,23,29,35,41,47-Octa-tert-butyl-49,50,51,52,53,54,55,56-octamethoxy-2,8,14,20,26,32,38,44-octathianonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosene
5,11,17,23,29,35,41,47-オクタ-tert-ブチル-49,50,51,52,53,54,55,56-オクタメトキシ-2,8,14,20,26,32,38,44-オクタチアノナシクロ[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]ヘキサペンタコンタ-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39(50),40,42,45,47-テトラコサエン
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
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
Molecular formula： C88H112O8S8
Molecular formula furigana： C88-H112-O8-S8
Molecular weight： 1554.340
InChI：
InChI=1S/C88H112O8S8/c1-81(2,3)49-33-57-73(89-25)58(34-49)98-60-36-51(83(7,8)9)38-62(75(60)91-27)100-64-40-53(85(13,14)15)42-66(77(64)93-29)102-68-44-55(87(19,20)21)46-70(79(68)95-31)104-72-48-56(88(22,23)24)47-71(80(72)96-32)103-69-45-54(86(16,17)18)43-67(78(69)94-30)101-65-41-52(84(10,11)12)39-63(76(65)92-28)99-61-37-50(82(4,5)6)35-59(97-57)74(61)90-26/h33-48H,1-32H3
InChI key：
PPPMTHKWPKKMSA-UHFFFAOYSA-N
SMILES：
COc1c2cc(cc1Sc1cc(cc(Sc3cc(cc(Sc4cc(cc(Sc5cc(cc(Sc6cc(cc(Sc7cc(cc(Sc8cc(cc(S2)c8OC)C(C)(C)C)c7OC)C(C)(C)C)c6OC)C(C)(C)C)c5OC)C(C)(C)C)c4OC)C(C)(C)C)c3OC)C(C)(C)C)c1OC)C(C)(C)C)C(C)(C)C
Systematic name (3)：
- 5,11,17,23,29,35,41,47-オクタ-tert-ブチル-49,50,51,52,53,54,55,56-オクタメトキシ-2,8,14,20,26,32,38,44-オクタチアノナシクロ[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]ヘキサペンタコンタ-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-テトラコサエン
- 5,11,17,23,29,35,41,47-オクタ-tert-ブチル-49,50,51,52,53,54,55,56-オクタメトキシ-2,8,14,20,26,32,38,44-オクタチアノナシクロ[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]ヘキサペンタコンタ-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39(50),40,42,45,47-テトラコサエン
- 5,11,17,23,29,35,41,47-octa-tert-butyl-49,50,51,52,53,54,55,56-octamethoxy-2,8,14,20,26,32,38,44-octathianonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39(50),40,42,45,47-tetracosaene
- 5,11,17,23,29,35,41,47-Octa-tert-butyl-49,50,51,52,53,54,55,56-octamethoxy-2,8,14,20,26,32,38,44-octathianonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosene
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