Chem
J-GLOBAL ID：200907081270544657   Nikkaji number：J2.082.817J

26-(Carboxymethoxy)-27,28-(ethylenebisoxybisethylenebisoxy)-5,11,17,23-tetratert-butyl-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-25-ol

26-(カルボキシメトキシ)-27,28-(エチレンビスオキシビスエチレンビスオキシ)-5,11,17,23-テトラtert-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-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： C48H60O8S4
Molecular formula furigana： C48-H60-O8-S4
Molecular weight： 893.240
InChI： InChI=1S/C48H60O8S4/c1-45(2,3)28-19-32-41(51)33(20-28)58-38-25-31(48(10,11)12)26-39(44(38)56-27-40(49)50)60-37-24-30(47(7,8)9)23-36-43(37)55-18-16-53-14-13-52-15-17-54-42-34(57-32)21-29(46(4,5)6)22-35(42)59-36/h19-26,51H,13-18,27H2,1-12H3,(H,49,50)
InChI key： WVCXPHLMHYYNMF-UHFFFAOYSA-N
SMILES： CC(C)(C)c1cc2Sc3cc(cc(Sc4cc(cc5Sc6cc(cc(Sc(c1)c2O)c6OCCOCCOCCOc45)C(C)(C)C)C(C)(C)C)c3OCC(=O)O)C(C)(C)C
Systematic name  (3)：
  • 26-(カルボキシメトキシ)-27,28-(エチレンビスオキシビスエチレンビスオキシ)-5,11,17,23-テトラtert-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-オール
  • 2-({3,9,15,21-テトラ-tert-ブチル-38-ヒドロキシ-25,28,31,34-テトラオキサ-6,12,18,36-テトラチアヘキサシクロ[21.12.1.17,11.113,17.05,35.019,24]オクタトリアコンタ-1(35),2,4,7,9,11(38),13(37),14,16,19(24),20,22-ドデカエン-37-イル}オキシ)酢酸
  • 2-({3,9,15,21-tetra-tert-butyl-38-hydroxy-25,28,31,34-tetraoxa-6,12,18,36-tetrathiahexacyclo[21.12.1.17,11.113,17.05,35.019,24]octatriaconta-1(35),2,4,7,9,11(38),13(37),14,16,19(24),20,22-dodecaen-37-yl}oxy)acetic acid
Other name (1)：
  • 26-(Carboxymethoxy)-27,28-(ethylenebisoxybisethylenebisoxy)-5,11,17,23-tetratert-butyl-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-25-ol
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