Chem
J-GLOBAL ID：200907013426173896
Nikkaji number：J1.722.962A
25,27-Dimethoxy-26,28-bis(methoxymethoxy)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-ジメトキシ-26,28-ビス(メトキシメトキシ)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： C36H34N2O6
Molecular formula furigana： C36-H34-N2-O6
Molecular weight： 590.676
InChI：
InChI=1S/C36H34N2O6/c1-39-21-43-35-29-11-23(19-37)12-30(35)16-26-8-6-10-28(34(26)42-4)18-32-14-24(20-38)13-31(36(32)44-22-40-2)17-27-9-5-7-25(15-29)33(27)41-3/h5-14H,15-18,21-22H2,1-4H3
InChI key：
SWSPQKLMKYHGAX-UHFFFAOYSA-N
SMILES：
COCOc1c2Cc3cccc(Cc4cc(cc(Cc5cccc(Cc1cc(c2)C#N)c5OC)c4OCOC)C#N)c3OC
Systematic name (2)：
- 25,27-ジメトキシ-26,28-ビス(メトキシメトキシ)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-dimethoxy-26,28-bis(methoxymethoxy)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-Dimethoxy-26,28-bis(methoxymethoxy)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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