Chem
J-GLOBAL ID：200907001008999062
Nikkaji number：J1.499.663J
26,28-Bis(4,4′-dicarboxylato-6′-methyl-2,2′-bipyridine-6-ylmethyloxy)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-25,27-diol
26,28-ビス(4,4′-ジカルボキシラト-6′-メチル-2,2′-ビピリジン-6-イルメチルオキシ)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-25,27-ジオール
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： C56H40N4O8[O-]4
Molecular formula furigana： C56-H40-N4-O12
Molecular weight： 960.954
InChI：
InChI=1S/C56H44N4O12/c1-29-15-39(53(63)64)23-45(57-29)47-25-41(55(67)68)21-43(59-47)27-71-51-35-11-5-12-36(51)18-32-8-4-10-34(50(32)62)20-38-14-6-13-37(19-33-9-3-7-31(17-35)49(33)61)52(38)72-28-44-22-42(56(69)70)26-48(60-44)46-24-40(54(65)66)16-30(2)58-46/h3-16,21-26,61-62H,17-20,27-28H2,1-2H3,(H,63,64)(H,65,66)(H,67,68)(H,69,70)/p-4
InChI key：
RXWXSZAARKUSIV-UHFFFAOYSA-J
SMILES：
Cc1cc(cc(n1)c1cc(cc(COc2c3Cc4cccc(Cc5cccc(Cc6cccc(Cc2ccc3)c6O)c5OCc2cc(cc(n2)c2cc(cc(C)n2)C(=O)[O-])C(=O)[O-])c4O)n1)C(=O)[O-])C(=O)[O-]
Systematic name (3)：
- 26,28-ビス(4,4′-ジカルボキシラト-6′-メチル-2,2′-ビピリジン-6-イルメチルオキシ)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-25,27-ジオール
- 6-({[27-({4,4'-ジカルボキシラト-6'-メチル-[2,2'-ビピリジン]-6-イル}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-25-イル]オキシ}メチル)-6'-メチル-[2,2'-ビピリジン]-4,4'-ジカルボキシラート
- 6-({[27-({4,4'-dicarboxylato-6'-methyl-[2,2'-bipyridin]-6-yl}methoxy)-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-dodecaen-25-yl]oxy}methyl)-6'-methyl-[2,2'-bipyridine]-4,4'-dicarboxylate
- 26,28-Bis(4,4′-dicarboxylato-6′-methyl-2,2′-bipyridine-6-ylmethyloxy)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-25,27-diol
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