11,23-Dimethyl-5,17-nonane-25,26,27,28-tetrahydroxycalix[4]arene

SpectraBase Compound ID	7DaoIzWZinR
InChI	InChI=1S/C39H44O4/c1-24-12-28-20-32-16-26-10-8-6-4-3-5-7-9-11-27-17-33(21-29(13-24)36(28)40)39(43)35(19-27)23-31-15-25(2)14-30(37(31)41)22-34(18-26)38(32)42/h12-19,40-43H,3-11,20-23H2,1-2H3
InChIKey	XBMIRYQXLYCFLX-UHFFFAOYSA-N Google Search
Mol Weight	576.8 g/mol
Molecular Formula	C39H44O4
Exact Mass	576.32396 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	1z9k4rzthQB
Name	11,23-Dimethyl-5,17-nonane-25,26,27,28-tetrahydroxycalix[4]arene
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	576.323959893 u
Formula	C39H44O4
InChI	InChI=1S/C39H44O4/c1-24-12-28-20-32-16-26-10-8-6-4-3-5-7-9-11-27-17-33(21-29(13-24)36(28)40)39(43)35(19-27)23-31-15-25(2)14-30(37(31)41)22-34(18-26)38(32)42/h12-19,40-43H,3-11,20-23H2,1-2H3
InChIKey	XBMIRYQXLYCFLX-UHFFFAOYSA-N
Molecular Weight	576.777 g/mol
SMILES	C=12C(=C3CC4=C(C(CC=5C(=C(CC=6C(=C(C2)C=C(C6)C)O)C=C(C5)CCCCCCCCCC(=C3)C1)O)=CC(=C4)C)O)O