28-Hydroxy-25,26,27-tris(2'-pyridoxy)-calix[4]arene

SpectraBase Compound ID	LOVt3eNbS0p
InChI	InChI=1S/C43H33N3O4/c47-40-29-11-7-12-30(40)26-32-14-9-16-34(42(32)49-38-20-2-5-23-45-38)28-36-18-10-17-35(43(36)50-39-21-3-6-24-46-39)27-33-15-8-13-31(25-29)41(33)48-37-19-1-4-22-44-37/h1-24,47H,25-28H2
InChIKey	VJETXCBDCTUDMN-UHFFFAOYSA-N Google Search
Mol Weight	655.8 g/mol
Molecular Formula	C43H33N3O4
Exact Mass	655.247107 g/mol

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SpectraBase Spectrum ID	JNjK9JoDA2V
Name	28-Hydroxy-25,26,27-tris(2'-pyridoxy)-calix[4]arene
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C43H33N3O4
InChI	InChI=1S/C43H33N3O4/c47-40-29-11-7-12-30(40)26-32-14-9-16-34(42(32)49-38-20-2-5-23-45-38)28-36-18-10-17-35(43(36)50-39-21-3-6-24-46-39)27-33-15-8-13-31(25-29)41(33)48-37-19-1-4-22-44-37/h1-24,47H,25-28H2
InChIKey	VJETXCBDCTUDMN-UHFFFAOYSA-N
Molecular Weight	655.754 g/mol
SMILES	Oc1c2Cc3cccc(c3Oc3ncccc3)Cc3c(c(Cc4c(c(Cc1ccc2)ccc4)Oc1ncccc1)ccc3)Oc1ncccc1
SPLASH	splash10-0a4i-0011019000-3031e44ff39557582433
Source of Spectrum	K1-2003-4360-3
Wiley ID	1521656