Chem
J-GLOBAL ID：200907047345579741
Nikkaji number：J1.722.955I
25,27-Bis(benzyloxy)-26,28-bis(2-ethoxyethoxy)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-5,17-dicarbonitrile
25,27-ビス(ベンジルオキシ)-26,28-ビス(2-エトキシエトキシ)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-5,17-ジカルボニトリル
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
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
Molecular formula： C52H50N2O6
Molecular formula furigana： C52-H50-N2-O6
Molecular weight： 798.980
InChI：
InChI=1S/C52H50N2O6/c1-3-55-21-23-57-51-45-25-39(33-53)26-46(51)30-42-18-12-20-44(50(42)60-36-38-15-9-6-10-16-38)32-48-28-40(34-54)27-47(52(48)58-24-22-56-4-2)31-43-19-11-17-41(29-45)49(43)59-35-37-13-7-5-8-14-37/h5-20,25-28H,3-4,21-24,29-32,35-36H2,1-2H3
InChI key：
VKVWFQYYCHIMAL-UHFFFAOYSA-N
SMILES：
CCOCCOc1c2Cc3cccc(Cc4cc(cc(Cc5cccc(Cc1cc(c2)C#N)c5OCc1ccccc1)c4OCCOCC)C#N)c3OCc1ccccc1
Systematic name (2)：
- 25,27-ビス(ベンジルオキシ)-26,28-ビス(2-エトキシエトキシ)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-5,17-ジカルボニトリル
- 25,27-bis(benzyloxy)-26,28-bis(2-ethoxyethoxy)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-5,17-dicarbonitrile
- 25,27-Bis(benzyloxy)-26,28-bis(2-ethoxyethoxy)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-5,17-dicarbonitrile
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