CHEBI:51415 - calixresorc[4]arene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name calixresorc[4]arene
ChEBI ID CHEBI:51415
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C28H24O8
Net Charge 0
Average Mass 488.48536
Monoisotopic Mass 488.14712
InChI InChI=1S/C28H24O8/c29-21-9-22(30)14-1-13(21)5-15-2-17(25(33)10-23(15)31)7-19-4-20(28(36)12-27(19)35)8-18-3-16(6-14)24(32)11-26(18)34/h1-4,9-12,29-36H,5-8H2
InChIKey YVGKLVZOQWYWTI-UHFFFAOYSA-N
SMILES Oc1cc(O)c2Cc3cc(Cc4cc(Cc5cc(Cc1c2)c(O)cc5O)c(O)cc4O)c(O)cc3O
ChEBI Ontology
Outgoing calixresorc[4]arene (CHEBI:51415) has parent hydride calix[4]arene (CHEBI:51202)
calixresorc[4]arene (CHEBI:51415) is a calixresorcarene (CHEBI:51416)
Incoming 2,8,14,20-tetrapentylcalixresorc[4]arene (CHEBI:51420) has functional parent calixresorc[4]arene (CHEBI:51415)
IUPAC Name
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-4,6,10,12,16,18,22,24-octol
Synonym Source
calix[4]resorcinarene ChEBI
Registry Number Type Source
6675733 Beilstein Registry Number Beilstein
Last Modified
21 January 2009