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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
Mol Weight 706.9 g/mol
Molecular Formula C44H54N2O6
Exact Mass 706.398187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSJmgxWbkd5
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 splash10-0002-0000019000-c422e137fad9f46e2d3f
Source of Spectrum J-65-672-7
Synonyms 2,8-axial,equatorial-Bis(diethylamido)-25,27-dihydroxy)-26,28-dipropoxycalix[4]arane
Wiley ID 1532104