Chem
J-GLOBAL ID：200907020468049580   Nikkaji number：J1.368.123F

17-Nitro-25,27-dipropoxy-26,28-bis(3,5-di-tert-butylbenzyloxy)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-5-carbaldehyde

17-ニトロ-25,27-ジプロポキシ-26,28-ビス(3,5-ジ-tert-ブチルベンジルオキシ)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-5-カルボアルデヒド
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： C65H79[N+]O6[O-]
Molecular formula furigana： C65-H79-N-O7
Molecular weight： 986.347
InChI： InChI=1S/C65H79NO7/c1-15-23-70-58-45-19-17-21-47(58)33-51-35-57(66(68)69)36-52(61(51)73-41-44-29-55(64(9,10)11)38-56(30-44)65(12,13)14)34-48-22-18-20-46(59(48)71-24-16-2)32-50-26-42(39-67)25-49(31-45)60(50)72-40-43-27-53(62(3,4)5)37-54(28-43)63(6,7)8/h17-22,25-30,35-39H,15-16,23-24,31-34,40-41H2,1-14H3
InChI key： MBDQSYORFFLQCZ-UHFFFAOYSA-N
SMILES： CCCOc1c2Cc3cc(C=O)cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5OCc1cc(cc(c1)C(C)(C)C)C(C)(C)C)[N+](=O)[O-])c4OCCC)c3OCc1cc(cc(c1)C(C)(C)C)C(C)(C)C
Systematic name  (4)：
  • 17-ニトロ-25,27-ジプロポキシ-26,28-ビス(3,5-ジ-tert-ブチルベンジルオキシ)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-5-カルボアルデヒド
  • 17-ニトロ-25,27-ジプロポキシ-26,28-ビス[3,5-ジ(tert-ブチル)ベンジルオキシ]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-5-カルボアルデヒド
  • 26,28-ビス[(3,5-ジ-tert-ブチルフェニル)メトキシ]-17-ニトロ-25,27-ジプロポキシペンタシクロ[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-5-カルバルデヒド
  • 26,28-bis[(3,5-di-tert-butylphenyl)methoxy]-17-nitro-25,27-dipropoxypentacyclo[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-5-carbaldehyde
Other name (2)：
  • 17-Nitro-25,27-dipropoxy-26,28-bis(3,5-di-tert-butylbenzyloxy)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-5-carbaldehyde
  • 17-Nitro-25,27-dipropoxy-26,28-bis[3,5-di(tert-butyl)benzyloxy]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-5-carbaldehyde
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