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11,23-di-tert-butyl-5,17-dodecano-25,26,27,28-tetrahydroxycalix[4]arene
SpectraBase Compound ID EwiqzRfkoWU
InChI InChI=1S/C48H62O4/c1-47(2,3)41-27-37-23-33-19-31-17-15-13-11-9-7-8-10-12-14-16-18-32-20-34(24-38(28-41)45(37)51)44(50)36(22-32)26-40-30-42(48(4,5)6)29-39(46(40)52)25-35(21-31)43(33)49/h19-22,27-30,49-52H,7-18,23-26H2,1-6H3
InChIKey RXNIAABAFTZHOL-UHFFFAOYSA-N
Mol Weight 703.0 g/mol
Molecular Formula C48H62O4
Exact Mass 702.46481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KTJj8gOO1e2
Name 11,23-di-tert-butyl-5,17-dodecano-25,26,27,28-tetrahydroxycalix[4]arene
Alternate Name(s) 24,33-ditert-butylhexacyclo[16.11.7.1(3,28).1(16,20).1(22,26).1(31,35)]tetraconta-1,3(38),16(40),17,19,22(39),23,25,28,31(37),32,34-dodecaene-19,29,37,39-tetrol
CAS Registry Number 115914-57-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H62O4
InChI InChI=1S/C48H62O4/c1-47(2,3)41-27-37-23-33-19-31-17-15-13-11-9-7-8-10-12-14-16-18-32-20-34(24-38(28-41)45(37)51)44(50)36(22-32)26-40-30-42(48(4,5)6)29-39(46(40)52)25-35(21-31)43(33)49/h19-22,27-30,49-52H,7-18,23-26H2,1-6H3
InChIKey RXNIAABAFTZHOL-UHFFFAOYSA-N
Molecular Weight 703.020 g/mol
SMILES Oc1c2Cc3c(c(Cc4c(c5Cc6c(c(Cc1cc(CCCCCCCCCCCCc(c5)c4)c2)cc(c6)C(C)(C)C)O)O)cc(c3)C(C)(C)C)O
SPLASH splash10-0udi-0200000900-2dc6073e855d033d4435
Source of Spectrum C-110-6816-29
Wiley ID 1415118