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 |