Chem
J-GLOBAL ID：201407025623118927   Nikkaji number：J3.219.664K

8,9,18,19,28,29-Hexabutoxytetracyclo[24.4.0.06,11.016,21]triacontane-1(26),6,8,10,16,18,20,27,29-nonaene 2,4,12,14,22,24-hexayne

8,9,18,19,28,29-ヘキサブトキシテトラシクロ[24.4.0.06,11.016,21]トリアコンタ-1(26),6,8,10,16,18,20,27,29-ノナエン-2,4,12,14,22,24-ヘキサイン
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： C54H60O6
Molecular formula furigana： C54-H60-O6
Molecular weight： 805.068
InChI： InChI=1S/C54H60O6/c1-7-13-31-55-49-37-43-25-19-20-27-45-39-51(57-33-15-9-3)53(59-35-17-11-5)41-47(45)29-23-24-30-48-42-54(60-36-18-12-6)52(58-34-16-10-4)40-46(48)28-22-21-26-44(43)38-50(49)56-32-14-8-2/h37-42H,7-18,31-36H2,1-6H3
InChI key： PKLKIKSCFLVCFF-UHFFFAOYSA-N
SMILES： CCCCOc1cc2C#CC#Cc3cc(OCCCC)c(OCCCC)cc3C#CC#Cc3cc(OCCCC)c(OCCCC)cc3C#CC#Cc2cc1OCCCC
Systematic name  (3)：
  • 8,9,18,19,28,29-ヘキサブトキシテトラシクロ[24.4.0.06,11.016,21]トリアコンタン-1(26),6,8,10,16,18,20,27,29-ノナエン2,4,12,14,22,24-ヘキサイン
  • 8,9,18,19,28,29-ヘキサブトキシテトラシクロ[24.4.0.06,11.016,21]トリアコンタ-1(26),6,8,10,16,18,20,27,29-ノナエン-2,4,12,14,22,24-ヘキサイン
  • 8,9,18,19,28,29-hexabutoxytetracyclo[24.4.0.06,11.016,21]triaconta-1(26),6,8,10,16,18,20,27,29-nonaen-2,4,12,14,22,24-hexayne
Other name (1)：
  • 8,9,18,19,28,29-Hexabutoxytetracyclo[24.4.0.06,11.016,21]triacontane-1(26),6,8,10,16,18,20,27,29-nonaene 2,4,12,14,22,24-hexayne
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