Chem
J-GLOBAL ID：200907002895552430
Nikkaji number：J1.001.089F
2α,8α,14α,20α-Tetrahexylpentacyclo[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
2α,8α,14α,20α-テトラヘキシルペンタシクロ[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
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： C52H72
Molecular formula furigana： C52-H72
Molecular weight： 697.148
InChI：
InChI=1S/C52H72/c1-5-9-13-17-33-49-41-25-21-27-43(37-41)50(34-18-14-10-6-2)45-29-23-31-47(39-45)52(36-20-16-12-8-4)48-32-24-30-46(40-48)51(35-19-15-11-7-3)44-28-22-26-42(49)38-44/h21-32,37-40,49-52H,5-20,33-36H2,1-4H3/t49-,50+,51-,52+
InChI key：
DGYAZRBKBADIEF-QEZAZGETSA-N
SMILES：
CCCCCC[C@H]1c2cccc(c2)[C@@H](CCCCCC)c2cccc(c2)[C@@H](CCCCCC)c2cccc(c2)[C@@H](CCCCCC)c2cccc1c2
Systematic name (3)：
- 2α,8α,14α,20α-テトラヘキシルペンタシクロ[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
- (2s,8s,14s,20s)-2,8,14,20-テトラヘキシルペンタシクロ[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
- (2s,8s,14s,20s)-2,8,14,20-tetrahexylpentacyclo[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
- 2α,8α,14α,20α-Tetrahexylpentacyclo[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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