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CHEBI:51201 - 4,6,10,12,16,18,22,24,25,26,27,28-dodecamethylcalix[4]arene

ChEBI IDCHEBI:51201
ChEBI Name4,6,10,12,16,18,22,24,25,26,27,28-dodecamethylcalix[4]arene
Stars
Last Modified8 December 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC40H48
Net Charge0
Average Mass528.824
Monoisotopic Mass528.37560
SMILESCc1cc(C)c2c(C)c1Cc1c(C)cc(C)c(c1C)Cc1c(C)cc(C)c(c1C)Cc1c(C)cc(C)c(c1C)C2
InChIInChI=1S/C40H48/c1-21-13-22(2)35-18-36-25(5)15-26(6)39(31(36)11)20-40-28(8)16-27(7)38(32(40)12)19-37-24(4)14-23(3)34(30(37)10)17-33(21)29(35)9/h13-16H,17-20H2,1-12H3
InChIKeyLGEIYNNFQMAPMD-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4,6,10,12,16,18,22,24,25,26,27,28-dodecamethylcalix[4]arene (CHEBI:51201) is a substituted calixarene (CHEBI:51200)
IUPAC Name 
4,6,10,12,16,18,22,24,25,26,27,28-dodecamethylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene
Registry NumbersSources
Beilstein:2550536Beilstein