Chem
J-GLOBAL ID：200907011426865914
Nikkaji number：J2.358.862E
5,17-Bis[4-(4-bromophenethyl)phenyl]-25,26,27,28-tetrakis(benzyloxy)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-ビス[4-(4-ブロモフェネチル)フェニル]-25,26,27,28-テトラキス(ベンジルオキシ)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
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： C84H70Br2O4
Molecular formula furigana： C84-H70-BR2-O4
Molecular weight： 1303.288
InChI：
InChI=1S/C84H70Br2O4/c85-79-43-35-61(36-44-79)29-27-59-31-39-67(40-32-59)73-51-75-47-69-23-13-24-70(81(69)87-55-63-15-5-1-6-16-63)48-76-52-74(68-41-33-60(34-42-68)28-30-62-37-45-80(86)46-38-62)54-78(84(76)90-58-66-21-11-4-12-22-66)50-72-26-14-25-71(82(72)88-56-64-17-7-2-8-18-64)49-77(53-73)83(75)89-57-65-19-9-3-10-20-65/h1-26,31-46,51-54H,27-30,47-50,55-58H2
InChI key：
YMBJJVQSIYYYIR-UHFFFAOYSA-N
SMILES：
Brc1ccc(CCc2ccc(cc2)c2cc3Cc4cccc(Cc5cc(cc(Cc6cccc(Cc(c2)c3OCc2ccccc2)c6OCc2ccccc2)c5OCc2ccccc2)c2ccc(CCc3ccc(Br)cc3)cc2)c4OCc2ccccc2)cc1
Systematic name (3)：
- 5,17-ビス[4-(4-ブロモフェネチル)フェニル]-25,26,27,28-テトラキス(ベンジルオキシ)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
- 25,26,27,28-テトラキス(ベンジルオキシ)-5,17-ビス({4-[2-(4-ブロモフェニル)エチル]フェニル})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
- 25,26,27,28-tetrakis(benzyloxy)-5,17-bis({4-[2-(4-bromophenyl)ethyl]phenyl})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-Bis[4-(4-bromophenethyl)phenyl]-25,26,27,28-tetrakis(benzyloxy)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
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