5,11,17,23-Tetra-tert-butyl-25,26,27-tris[(2-pyridylmethyl)oxy]-28-hydroxycalix[4]arene, partial cone comformer

SpectraBase Compound ID	IdBjaoqHES0
InChI	InChI=1S/C62H71N3O4/c1-59(2,3)48-29-40-25-42-31-49(60(4,5)6)33-44(56(42)67-37-52-19-13-16-22-63-52)27-46-35-51(62(10,11)12)36-47(58(46)69-39-54-21-15-18-24-65-54)28-45-34-50(61(7,8)9)32-43(26-41(30-48)55(40)66)57(45)68-38-53-20-14-17-23-64-53/h13-24,29-36,66H,25-28,37-39H2,1-12H3
InChIKey	SIYGDFMMBMDHJB-UHFFFAOYSA-N Google Search
Mol Weight	922.3 g/mol
Molecular Formula	C62H71N3O4
Exact Mass	921.544458 g/mol

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SpectraBase Spectrum ID	3QqKIR9nx66
Name	5,11,17,23-Tetra-tert-butyl-25,26,27-tris[(2-pyridylmethyl)oxy]-28-hydroxycalix[4]arene, partial cone comformer
Alternate Name(s)	5,11,17,23-Tetra-tert-butyl-25,26,27-tris[(2-pyridylmethyl)oxy]-28-hydroxycalix[4]arene, cone comformer 5,11,17,23-tetra-tert-butyl-26,27,28-tris(pyridin-2-ylmethoxy)pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15(26),16,18,21,23-dodecaen-25-ol
CAS Registry Number	123239-32-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C62H71N3O4
InChI	InChI=1S/C62H71N3O4/c1-59(2,3)48-29-40-25-42-31-49(60(4,5)6)33-44(56(42)67-37-52-19-13-16-22-63-52)27-46-35-51(62(10,11)12)36-47(58(46)69-39-54-21-15-18-24-65-54)28-45-34-50(61(7,8)9)32-43(26-41(30-48)55(40)66)57(45)68-38-53-20-14-17-23-64-53/h13-24,29-36,66H,25-28,37-39H2,1-12H3
InChIKey	SIYGDFMMBMDHJB-UHFFFAOYSA-N
Molecular Weight	922.267 g/mol
SMILES	Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc(c2)C(C)(C)C)cc(c5)C(C)(C)C)OCc1ncccc1)cc(c4)C(C)(C)C)OCc1ncccc1)cc(c3)C(C)(C)C)OCc1ncccc1
SPLASH	splash10-00ei-0000004798-5b21615363fc0a5388ed
Source of Spectrum	J-57-2621-1
Wiley ID	1418139