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Tetrakis(6-aza-7-carboxy-8-<indol-3-yl>-2-oxa-5-oxo-octyl)-methane
SpectraBase Compound ID 87VukVkKMY9
InChI InChI=1S/C61H68N8O16/c70-53(66-49(57(74)75)25-37-29-62-45-13-5-1-9-41(37)45)17-21-82-33-61(34-83-22-18-54(71)67-50(58(76)77)26-38-30-63-46-14-6-2-10-42(38)46,35-84-23-19-55(72)68-51(59(78)79)27-39-31-64-47-15-7-3-11-43(39)47)36-85-24-20-56(73)69-52(60(80)81)28-40-32-65-48-16-8-4-12-44(40)48/h1-16,29-32,49-52,62-65H,17-28,33-36H2,(H,66,70)(H,67,71)(H,68,72)(H,69,73)(H,74,75)(H,76,77)(H,78,79)(H,80,81)
InChIKey WWFJKQMYXJXWPD-UHFFFAOYSA-N
Mol Weight 1169.3 g/mol
Molecular Formula C61H68N8O16
Exact Mass 1168.475328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQctZqI80pU
Name Tetrakis(6-aza-7-carboxy-8--2-oxa-5-oxo-octyl)-methane
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C61H68N8O16
InChI InChI=1S/C61H68N8O16/c70-53(66-49(57(74)75)25-37-29-62-45-13-5-1-9-41(37)45)17-21-82-33-61(34-83-22-18-54(71)67-50(58(76)77)26-38-30-63-46-14-6-2-10-42(38)46,35-84-23-19-55(72)68-51(59(78)79)27-39-31-64-47-15-7-3-11-43(39)47)36-85-24-20-56(73)69-52(60(80)81)28-40-32-65-48-16-8-4-12-44(40)48/h1-16,29-32,49-52,62-65H,17-28,33-36H2,(H,66,70)(H,67,71)(H,68,72)(H,69,73)(H,74,75)(H,76,77)(H,78,79)(H,80,81)
InChIKey WWFJKQMYXJXWPD-UHFFFAOYSA-N
Literature Reference G.R. Newkome, X. Lin, C.D.Weis, Tetrahedron: Asymmetry 2, 957 (1991).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6