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 |