Chem
J-GLOBAL ID：200907091692868299
Nikkaji number：J1.732.745C
25,26,27,28-Tetrabutoxypentacyclo[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
25,26,27,28-テトラブ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-5,11,17,23-テトラカルボン酸
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： C48H56O12
Molecular formula furigana： C48-H56-O12
Molecular weight： 824.964
InChI：
InChI=1S/C48H56O12/c1-5-9-13-57-41-29-17-31-23-38(46(51)52)25-33(42(31)58-14-10-6-2)19-35-27-40(48(55)56)28-36(44(35)60-16-12-8-4)20-34-26-39(47(53)54)24-32(43(34)59-15-11-7-3)18-30(41)22-37(21-29)45(49)50/h21-28H,5-20H2,1-4H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)
InChI key：
SWNJBCXSGDGQOW-UHFFFAOYSA-N
SMILES：
CCCCOc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)C(=O)O)c5OCCCC)C(=O)O)c4OCCCC)C(=O)O)c3OCCCC)C(=O)O
Systematic name (2)：
- 25,26,27,28-テトラブ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-5,11,17,23-テトラカルボン酸
- 25,26,27,28-tetrabutoxypentacyclo[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
- 25,26,27,28-Tetrabutoxypentacyclo[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
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