Chem
J-GLOBAL ID:200907000963303025   Nikkaji number:J1.345.453A

5,11,17,23-Tetratert-butyl-26,28-bis[2-(benzothiazole-2-ylthio)ethoxy]pentacyclo[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-25,27-diol

5,11,17,23-テトラtert-ブチル-26,28-ビス[2-(ベンゾチアゾール-2-イルチオ)エトキシ]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-25,27-ジオール
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: C62H70N2O4S4
Molecular formula furigana: C62-H70-N2-O4-S4
Molecular weight: 1035.490
InChI: InChI=1S/C62H70N2O4S4/c1-59(2,3)45-29-37-25-41-33-47(61(7,8)9)35-43(55(41)67-21-23-69-57-63-49-17-13-15-19-51(49)71-57)27-39-31-46(60(4,5)6)32-40(54(39)66)28-44-36-48(62(10,11)12)34-42(26-38(30-45)53(37)65)56(44)68-22-24-70-58-64-50-18-14-16-20-52(50)72-58/h13-20,29-36,65-66H,21-28H2,1-12H3
InChI key: FSASBNDWMNRQHL-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2O)c5OCCSc1nc2ccccc2s1)C(C)(C)C)c4O)C(C)(C)C)c3OCCSc1nc2ccccc2s1)C(C)(C)C
Systematic name  (4):
  • 5,11,17,23-テトラ-tert-ブチル-26,28-ビス[2-(ベンゾチアゾール-2-イルチオ)エトキシ]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-25,27-ジオール
  • 5,11,17,23-テトラtert-ブチル-26,28-ビス[2-(ベンゾチアゾール-2-イルチオ)エトキシ]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-25,27-ジオール
  • 26,28-ビス[2-(1,3-ベンゾチアゾール-2-イルスルファニル)エトキシ]-5,11,17,23-テトラ-tert-ブチルペンタシクロ[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-25,27-ジオール
  • 26,28-bis[2-(1,3-benzothiazol-2-ylsulfanyl)ethoxy]-5,11,17,23-tetra-tert-butylpentacyclo[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-25,27-diol
Other name (2):
  • 5,11,17,23-Tetra-tert-butyl-26,28-bis[2-(benzothiazole-2-ylthio)ethoxy]pentacyclo[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-25,27-diol
  • 5,11,17,23-Tetratert-butyl-26,28-bis[2-(benzothiazole-2-ylthio)ethoxy]pentacyclo[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-25,27-diol
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