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CHEBI:51420 - 2,8,14,20-tetrapentylcalixresorc[4]arene

ChEBI IDCHEBI:51420
ChEBI Name2,8,14,20-tetrapentylcalixresorc[4]arene
Stars
Last Modified19 January 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC48H64O8
Net Charge0
Average Mass769.032
Monoisotopic Mass768.46012
SMILESCCCCCC1c2cc(c(O)cc2O)C(CCCCC)c2cc(c(O)cc2O)C(CCCCC)c2cc(c(O)cc2O)C(CCCCC)c2cc1c(O)cc2O
InChIInChI=1S/C48H64O8/c1-5-9-13-17-29-33-21-35(43(51)25-41(33)49)30(18-14-10-6-2)37-23-39(47(55)27-45(37)53)32(20-16-12-8-4)40-24-38(46(54)28-48(40)56)31(19-15-11-7-3)36-22-34(29)42(50)26-44(36)52/h21-32,49-56H,5-20H2,1-4H3
InChIKeyLRJAHNNLOBUXBG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,8,14,20-tetrapentylcalixresorc[4]arene (CHEBI:51420) has functional parent calixresorc[4]arene (CHEBI:51415)
2,8,14,20-tetrapentylcalixresorc[4]arene (CHEBI:51420) is a substituted calixresorcarene (CHEBI:51419)
IUPAC Name 
2,8,14,20-tetrapentylpentacyclo[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-4,6,10,12,16,18,22,24-octol
Registry NumbersSources
Beilstein:4226229Beilstein