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4-allyl-2-[[16-[(5-allyl-2-hydroxy-3-methoxy-phenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-6-methoxy-phenol
SpectraBase Compound ID DCPXqJpmhDl
InChI InChI=1S/C34H50N2O8/c1-5-7-27-21-29(33(37)31(23-27)39-3)25-35-9-13-41-17-19-43-15-11-36(12-16-44-20-18-42-14-10-35)26-30-22-28(8-6-2)24-32(40-4)34(30)38/h5-6,21-24,37-38H,1-2,7-20,25-26H2,3-4H3
InChIKey KFJCOMWMDJSDNZ-UHFFFAOYSA-N
Mol Weight 614.8 g/mol
Molecular Formula C34H50N2O8
Exact Mass 614.356717 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1mSZM3kz2gG
Name 4-allyl-2-[[16-[(5-allyl-2-hydroxy-3-methoxy-phenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-6-methoxy-phenol
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H50N2O8
InChI InChI=1S/C34H50N2O8/c1-5-7-27-21-29(33(37)31(23-27)39-3)25-35-9-13-41-17-19-43-15-11-36(12-16-44-20-18-42-14-10-35)26-30-22-28(8-6-2)24-32(40-4)34(30)38/h5-6,21-24,37-38H,1-2,7-20,25-26H2,3-4H3
InChIKey KFJCOMWMDJSDNZ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.1811
Molecular Weight 614.780 g/mol
SMILES Oc1c(CN2CCOCCOCCN(Cc3c(c(cc(c3)CC=C)OC)O)CCOCCOCC2)cc(cc1OC)CC=C
SPLASH splash10-06w9-2972200000-be055a7f7e68215901e9
Source of Spectrum Y-53-173-173-4
Thin-Layer Chromatography Rf = 0.86 (EtOAc)
Wiley ID 1877535