Chem
J-GLOBAL ID：200907057261022410
Nikkaji number：J1.722.959A
25,26,27,28-Tetrahydroxypentacyclo[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
25,26,27,28-テトラ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： C30H22N2O4
Molecular formula furigana： C30-H22-N2-O4
Molecular weight： 474.516
InChI：
InChI=1S/C30H22N2O4/c31-15-17-7-23-11-19-3-1-4-20(27(19)33)12-24-8-18(16-32)10-26(30(24)36)14-22-6-2-5-21(28(22)34)13-25(9-17)29(23)35/h1-10,33-36H,11-14H2
InChI key：
SWSCAFHMXFNASU-UHFFFAOYSA-N
SMILES：
Oc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C#N)c4O)c3O)C#N
Systematic name (2)：
- 25,26,27,28-テトラ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
- 25,26,27,28-tetrahydroxypentacyclo[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
- 25,26,27,28-Tetrahydroxypentacyclo[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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