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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5,11,17,23-tetrakis(1,1,3,3-tetramethylbutyl)calix[4]arene-25,26,27,28-tetrol
ChEBI ID CHEBI:51199
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C60H88O4
Net Charge 0
Average Mass 873.33832
Monoisotopic Mass 872.66826
InChI InChI=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
InChIKey KCUQVAUQRGDGKP-UHFFFAOYSA-N
SMILES CC(C)(C)CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2O)c5O)C(C)(C)CC(C)(C)C)c4O)C(C)(C)CC(C)(C)C)c3O)C(C)(C)CC(C)(C)C
ChEBI Ontology
Outgoing 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 Number Type Source
2035735 Beilstein Registry Number Beilstein
Last Modified
08 December 2008