Chem
J-GLOBAL ID：200907003228569401   Nikkaji number：J1.566.947K

5,11,17,23-Tetra-tert-butyl-25,26:27,28-bis[(oxy)(1-oxoethylene)(oxy)]-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

5,11,17,23-テトラ-tert-ブチル-25,26:27,28-ビス[(オキシ)(1-オキソエチレン)(オキシ)]-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
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： C44H48O6S4
Molecular formula furigana： C44-H48-O6-S4
Molecular weight： 801.100
InChI： InChI=1S/C44H48O6S4/c1-41(2,3)23-13-27-37-29(15-23)53-33-19-26(44(10,11)12)18-32-40(33)50-36(46)22-48-38-28(52-32)14-24(42(4,5)6)16-30(38)54-34-20-25(43(7,8)9)17-31(51-27)39(34)49-35(45)21-47-37/h13-20H,21-22H2,1-12H3
InChI key： NRAZNXFRDCPBGX-UHFFFAOYSA-N
SMILES： CC(C)(C)c1cc2Sc3cc(cc4Sc5cc(cc6Sc7cc(cc(Sc(c1)c2OCC(=O)Oc34)c7OC(=O)COc56)C(C)(C)C)C(C)(C)C)C(C)(C)C
Systematic name  (3)：
  • 5,11,17,23-テトラ-tert-ブチル-25,26:27,28-ビス[(オキシ)(1-オキソエチレン)(オキシ)]-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
  • 3,9,20,26-テトラ-tert-ブチル-13,16,30,33-テトラオキサ-6,23,35,36-テトラチアヘプタシクロ[26.6.1.111,18.05,34.07,12.017,22.024,29]ヘキサトリアコンタ-1,3,5(34),7,9,11,17,19,21,24,26,28-ドデカエン-14,31-ジオン
  • 3,9,20,26-tetra-tert-butyl-13,16,30,33-tetraoxa-6,23,35,36-tetrathiaheptacyclo[26.6.1.111,18.05,34.07,12.017,22.024,29]hexatriaconta-1,3,5(34),7,9,11,17,19,21,24,26,28-dodecaene-14,31-dione
Other name (1)：
  • 5,11,17,23-Tetra-tert-butyl-25,26:27,28-bis[(oxy)(1-oxoethylene)(oxy)]-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
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