Chem
J-GLOBAL ID：200907048826749299
Nikkaji number：J1.722.961C
25,27-Dimethoxy-26,28-dihydroxypentacyclo[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-ジヒドロキシペンタシクロ[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： C32H26N2O4
Molecular formula furigana： C32-H26-N2-O4
Molecular weight： 502.570
InChI：
InChI=1S/C32H26N2O4/c1-37-31-21-5-3-6-22(31)14-26-10-20(18-34)12-28(30(26)36)16-24-8-4-7-23(32(24)38-2)15-27-11-19(17-33)9-25(13-21)29(27)35/h3-12,35-36H,13-16H2,1-2H3
InChI key：
KGHIAELHJZATIU-UHFFFAOYSA-N
SMILES：
COc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C#N)c4OC)c3O)C#N
Systematic name (3)：
- 25,27-ジメトキシ-26,28-ジヒドロキシペンタシクロ[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
- 26,28-ジヒドロキシ-25,27-ジ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
- 26,28-dihydroxy-25,27-dimethoxypentacyclo[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-dihydroxypentacyclo[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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