Chem
J-GLOBAL ID：200907001292407277   Nikkaji number：J2.251.035E

[5,11,17,23-Tetra-tert-butyl-26-(benzyloxy)-27,28-[oxybis(ethyleneoxyethyleneoxy)]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-dodecaene-25-yloxy]acetic acid

[5,11,17,23-テトラ-tert-ブチル-26-(ベンジルオキシ)-27,28-[オキシビス(エチレンオキシエチレンオキシ)]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-イルオキシ]酢酸
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： C61H78O9
Molecular formula furigana： C61-H78-O9
Molecular weight： 955.286
InChI： InChI=1S/C61H78O9/c1-58(2,3)49-30-41-26-42-31-50(59(4,5)6)33-44-28-47-36-52(61(10,11)12)37-48(57(47)70-39-53(62)63)29-46-35-51(60(7,8)9)34-45(56(46)69-38-40-16-14-13-15-17-40)27-43(32-49)54(41)67-24-22-65-20-18-64-19-21-66-23-25-68-55(42)44/h13-17,30-37H,18-29,38-39H2,1-12H3,(H,62,63)
InChI key： GSYRGJBQFKRMFX-UHFFFAOYSA-N
SMILES： CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc5Cc6cc(cc(Cc(c1)c2OCC(=O)O)c6OCCOCCOCCOCCOc45)C(C)(C)C)C(C)(C)C)c3OCc1ccccc1)C(C)(C)C
Systematic name  (3)：
  • [5,11,17,23-テトラ-tert-ブチル-26-(ベンジルオキシ)-27,28-[オキシビス(エチレンオキシエチレンオキシ)]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-イルオキシ]酢酸
  • 2-{[41-(ベンジルオキシ)-3,9,15,21-テトラ-tert-ブチル-25,28,31,34,37-ペンタオキサヘキサシクロ[21.15.1.17,11.113,17.05,38.019,24]ヘンテトラコンタ-1(38),2,4,7(41),8,10,13(40),14,16,19(24),20,22-ドデカエン-40-イル]オキシ}酢酸
  • 2-{[41-(benzyloxy)-3,9,15,21-tetra-tert-butyl-25,28,31,34,37-pentaoxahexacyclo[21.15.1.17,11.113,17.05,38.019,24]hentetraconta-1(38),2,4,7(41),8,10,13(40),14,16,19(24),20,22-dodecaen-40-yl]oxy}acetic acid
Other name (1)：
  • [5,11,17,23-Tetra-tert-butyl-26-(benzyloxy)-27,28-[oxybis(ethyleneoxyethyleneoxy)]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-dodecaene-25-yloxy]acetic acid
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