11,23-bis(Propoxymethyl)-25,27-dihydroxy-26,28-dimethoxy-calix[4]arene

SpectraBase Compound ID	2cSLKQR9V3k
InChI	InChI=1S/C38H44O6/c1-5-13-43-23-25-15-31-19-27-9-7-11-29(37(27)41-3)21-33-17-26(24-44-14-6-2)18-34(36(33)40)22-30-12-8-10-28(38(30)42-4)20-32(16-25)35(31)39/h7-12,15-18,39-40H,5-6,13-14,19-24H2,1-4H3
InChIKey	NWFNWYWYDGRAJX-UHFFFAOYSA-N Google Search
Mol Weight	596.8 g/mol
Molecular Formula	C38H44O6
Exact Mass	596.313789 g/mol

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SpectraBase Spectrum ID	9j1ImBZm5ag
Name	11,23-bis(Propoxymethyl)-25,27-dihydroxy-26,28-dimethoxy-calix[4]arene
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	596.313789131 u
Formula	C38H44O6
InChI	InChI=1S/C38H44O6/c1-5-13-43-23-25-15-31-19-27-9-7-11-29(37(27)41-3)21-33-17-26(24-44-14-6-2)18-34(36(33)40)22-30-12-8-10-28(38(30)42-4)20-32(16-25)35(31)39/h7-12,15-18,39-40H,5-6,13-14,19-24H2,1-4H3
InChIKey	NWFNWYWYDGRAJX-UHFFFAOYSA-N
Molecular Weight	596.764 g/mol
SMILES	C=12C(=C(CC=3C(=C(CC=4C(=C(CC5=C(C(C2)=CC=C5)OC)C=C(C4)COCCC)O)C=CC3)OC)C=C(C1)COCCC)O