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CHEBI:51199 - 5,11,17,23-tetrakis(1,1,3,3-tetramethylbutyl)calix[4]arene-25,26,27,28-tetrol

ChEBI IDCHEBI:51199
ChEBI Name5,11,17,23-tetrakis(1,1,3,3-tetramethylbutyl)calix[4]arene-25,26,27,28-tetrol
Stars
Last Modified8 December 2008
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC60H88O4
Net Charge0
Average Mass873.360
Monoisotopic Mass872.66826
SMILESCC(C)(C)CC(C)(C)c1cc2c(O)c(c1)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)Cc1cc(C(C)(C)CC(C)(C)C)cc(c1O)C2
InChIInChI=1S/C60H88O4/c1-53(2,3)33-57(13,14)45-25-37-21-39-27-46(58(15,16)34-54(4,5)6)29-41(50(39)62)23-43-31-48(60(19,20)36-56(10,11)12)32-44(52(43)64)24-42-30-47(59(17,18)35-55(7,8)9)28-40(51(42)63)22-38(26-45)49(37)61/h25-32,61-64H,21-24,33-36H2,1-20H3
InChIKeyKCUQVAUQRGDGKP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5,11,17,23-tetrakis(1,1,3,3-tetramethylbutyl)calix[4]arene-25,26,27,28-tetrol (CHEBI:51199) is a substituted calixarene (CHEBI:51200)
IUPAC Name 
5,11,17,23-tetrakis(1,1,3,3-tetramethylbutyl)pentacyclo[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-25,26,27,28-tetrol
Registry NumbersSources
Beilstein:2035735Beilstein