2,8-axial,axial-Bis(diethylamido)-25,27-dihydroxy)-26,28-dipropoxycalix[4]arane

SpectraBase Compound ID	6nOrweTCxBX
InChI	InChI=1S/C44H54N2O6/c1-7-25-51-41-31-19-13-20-32(41)28-30-18-15-22-34(40(30)48)38(44(50)46(11-5)12-6)36-24-16-23-35(42(36)52-26-8-2)37(43(49)45(9-3)10-4)33-21-14-17-29(27-31)39(33)47/h13-24,37-38,47-48H,7-12,25-28H2,1-6H3
InChIKey	KMDOXXNUDJVXHJ-UHFFFAOYSA-N Google Search
Mol Weight	706.9 g/mol
Molecular Formula	C44H54N2O6
Exact Mass	706.398187 g/mol

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SpectraBase Spectrum ID	H0dH2VitoaF
Name	2,8-axial,axial-Bis(diethylamido)-25,27-dihydroxy)-26,28-dipropoxycalix[4]arane
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C44H54N2O6
InChI	InChI=1S/C44H54N2O6/c1-7-25-51-41-31-19-13-20-32(41)28-30-18-15-22-34(40(30)48)38(44(50)46(11-5)12-6)36-24-16-23-35(42(36)52-26-8-2)37(43(49)45(9-3)10-4)33-21-14-17-29(27-31)39(33)47/h13-24,37-38,47-48H,7-12,25-28H2,1-6H3
InChIKey	KMDOXXNUDJVXHJ-UHFFFAOYSA-N
Molecular Weight	706.924 g/mol
SMILES	Oc1c2C(c3c(c(C(c4c(c(Cc5c(c(Cc1ccc2)ccc5)OCCC)ccc4)O)C(N(CC)CC)=O)ccc3)OCCC)C(N(CC)CC)=O
SPLASH	splash10-0002-0000009400-5af2402554f2087908bd
Source of Spectrum	J-65-672-8
Synonyms	2,8-axial,equatorial-Bis(diethylamido)-25,27-dihydroxy)-26,28-dipropoxycalix[4]arane
Wiley ID	1532103