5,11,17,23-tetrakis(t-Butyl)-25,26,27,28-tetrakis(allyloxy)-calix[4]arene

SpectraBase Compound ID	5VP7DnNceBs
InChI	InChI=1S/C56H72O4/c1-17-21-57-49-37-25-39-31-46(54(8,9)10)33-41(50(39)58-22-18-2)27-43-35-48(56(14,15)16)36-44(52(43)60-24-20-4)28-42-34-47(55(11,12)13)32-40(51(42)59-23-19-3)26-38(49)30-45(29-37)53(5,6)7/h17-20,29-36H,1-4,21-28H2,5-16H3
InChIKey	SIVAJLXFQCCNRP-UHFFFAOYSA-N Google Search
Mol Weight	809.2 g/mol
Molecular Formula	C56H72O4
Exact Mass	808.543061 g/mol

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SpectraBase Spectrum ID	9Ce9ilaAG66
Name	5,11,17,23-tetrakis(t-Butyl)-25,26,27,28-tetrakis(allyloxy)-calix[4]arene
Alternate Name(s)	5,11,17,23-tetra-tert-butyl-25,26,27,28-tetrakis(prop-2-en-1-yloxy)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-dodecaene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C56H72O4
InChI	InChI=1S/C56H72O4/c1-17-21-57-49-37-25-39-31-46(54(8,9)10)33-41(50(39)58-22-18-2)27-43-35-48(56(14,15)16)36-44(52(43)60-24-20-4)28-42-34-47(55(11,12)13)32-40(51(42)59-23-19-3)26-38(49)30-45(29-37)53(5,6)7/h17-20,29-36H,1-4,21-28H2,5-16H3
InChIKey	SIVAJLXFQCCNRP-UHFFFAOYSA-N
Molecular Weight	809.188 g/mol
SMILES	c12c(c(Cc3c(c(Cc4c(c(Cc5c(c(C2)cc(c5)C(C)(C)C)OCC=C)cc(c4)C(C)(C)C)OCC=C)cc(c3)C(C)(C)C)OCC=C)cc(c1)C(C)(C)C)OCC=C
SPLASH	splash10-0a4i-0600000970-61c9ef46e96b3a79f237
Source of Spectrum	MN-1998-112-3
Wiley ID	1546382