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4-[[13-(4-hydroxy-3,5-dimethoxy-benzyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]-2,6-dimethoxy-phenol

View entire compound with spectra: 1 MS (GC)

4-[[13-(4-hydroxy-3,5-dimethoxy-benzyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]-2,6-dimethoxy-phenol
SpectraBase Compound ID GrluqvivRep
InChI InChI=1S/C28H42N2O9/c1-33-23-15-21(16-24(34-2)27(23)31)19-29-5-9-37-10-6-30(8-12-39-14-13-38-11-7-29)20-22-17-25(35-3)28(32)26(18-22)36-4/h15-18,31-32H,5-14,19-20H2,1-4H3
InChIKey GDDYUYYKBPXOGH-UHFFFAOYSA-N
Mol Weight 550.6 g/mol
Molecular Formula C28H42N2O9
Exact Mass 550.289031 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Oo76IUW0R5
Name 4-[[13-(4-hydroxy-3,5-dimethoxy-benzyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]-2,6-dimethoxy-phenol
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42N2O9
InChI InChI=1S/C28H42N2O9/c1-33-23-15-21(16-24(34-2)27(23)31)19-29-5-9-37-10-6-30(8-12-39-14-13-38-11-7-29)20-22-17-25(35-3)28(32)26(18-22)36-4/h15-18,31-32H,5-14,19-20H2,1-4H3
InChIKey GDDYUYYKBPXOGH-UHFFFAOYSA-N
Molecular Weight 550.649 g/mol
SMILES Oc1c(cc(CN2CCOCCN(Cc3cc(c(c(c3)OC)O)OC)CCOCCOCC2)cc1OC)OC
SPLASH splash10-014i-0900000000-c51b9cf9f3c5e57b4e48
Source of Spectrum Y-38-589-13
Synonyms 4-[[13-[(3,5-dimethoxy-4-oxidanyl-phenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]-2,6-dimethoxy-phenol 4-[[13-[(4-hydroxy-3,5-dimethoxy-phenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]methyl]-2,6-dimethoxy-phenol
Wiley ID 848387