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5,11,17,23-Tetra-tert-butyl-25-[(2-pyridylmethyl)oxy]-26,27,28-trihydroxycalix[4]arene
SpectraBase Compound ID L6TcVNsZrB1
InChI InChI=1S/C50H61NO4/c1-5-9-15-34-21-38-29-40-23-35(16-10-6-2)25-42(48(40)53)31-44-27-37(18-12-8-4)28-45(50(44)55-33-46-19-13-14-20-51-46)32-43-26-36(17-11-7-3)24-41(49(43)54)30-39(22-34)47(38)52/h13-14,19-28,52-54H,5-12,15-18,29-33H2,1-4H3
InChIKey XVDGHBMPGGGMSW-UHFFFAOYSA-N
Mol Weight 740.0 g/mol
Molecular Formula C50H61NO4
Exact Mass 739.460059 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FFqmRRuaG
Name 5,11,17,23-Tetra-tert-butyl-25-[(2-pyridylmethyl)oxy]-26,27,28-trihydroxycalix[4]arene
CAS Registry Number 123207-96-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H61NO4
InChI InChI=1S/C50H61NO4/c1-5-9-15-34-21-38-29-40-23-35(16-10-6-2)25-42(48(40)53)31-44-27-37(18-12-8-4)28-45(50(44)55-33-46-19-13-14-20-51-46)32-43-26-36(17-11-7-3)24-41(49(43)54)30-39(22-34)47(38)52/h13-14,19-28,52-54H,5-12,15-18,29-33H2,1-4H3
InChIKey XVDGHBMPGGGMSW-UHFFFAOYSA-N
Molecular Weight 740.041 g/mol
SMILES Oc1c2Cc3c(c(Cc4c(c(Cc5c(c(Cc1cc(c2)CCCC)cc(c5)CCCC)O)cc(c4)CCCC)O)cc(c3)CCCC)OCc1ncccc1
SPLASH splash10-0002-0000009200-272d2f81e4d9c4f6caae
Source of Spectrum J-57-2621-1
Synonyms 5,11,17,23-tetrabutyl-28-(2-pyridinylmethoxy)pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-25,26,27-triol
Wiley ID 1416092