Chem
J-GLOBAL ID：200907086914862649   Nikkaji number：J754.753F

5,11,17,23-Tetracarboxy-25,26,27,28-tetrakis(octyloxy)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

25,26,27,28-テトラキス(オクチルオキシ)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-5,11,17,23-テトラカルボン酸
Substance type：
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
Molecular formula： C64H88O12
Molecular formula furigana： C64-H88-O12
Molecular weight： 1049.396
InChI： InChI=1S/C64H88O12/c1-5-9-13-17-21-25-29-73-57-45-33-47-39-54(62(67)68)41-49(58(47)74-30-26-22-18-14-10-6-2)35-51-43-56(64(71)72)44-52(60(51)76-32-28-24-20-16-12-8-4)36-50-42-55(63(69)70)40-48(34-46(57)38-53(37-45)61(65)66)59(50)75-31-27-23-19-15-11-7-3/h37-44H,5-36H2,1-4H3,(H,65,66)(H,67,68)(H,69,70)(H,71,72)
InChI key： ABCNFMCCHNVMSB-UHFFFAOYSA-N
SMILES： CCCCCCCCOc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)C(=O)O)c5OCCCCCCCC)C(=O)O)c4OCCCCCCCC)C(=O)O)c3OCCCCCCCC)C(=O)O
Systematic name  (3)：
  • 25,26,27,28-テトラキス(オクチルオキシ)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-5,11,17,23-テトラカルボン酸
  • 5,11,17,23-テトラカルボキシ-25,26,27,28-テトラキス(オクチルオキシ)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
  • 25,26,27,28-tetrakis(octyloxy)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-5,11,17,23-tetracarboxylic acid
Other name (2)：
  • 25,26,27,28-Tetrakis(octyloxy)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-5,11,17,23-tetracarboxylic acid
  • 5,11,17,23-Tetracarboxy-25,26,27,28-tetrakis(octyloxy)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
Thsaurus map：
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