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#4;N,N'-BIS-[2-HYDROXY-1,1-BIS-(HYDROXYMETHYL)-ETHYL]-ALPHA,ALPHA,ALPHA',ALPHA'-TETRAKIS-[[[2-HYDROXY-1,1-BIS-(HYDROXYMETHYL)-ETHYL]-AMINO]-CARBONYL]-4,4'-BIPH
SpectraBase Compound ID eBSduOcSBf
InChI InChI=1S/C46H72N6O24/c53-11-39(12-54,13-55)47-33(71)45(34(72)48-40(14-56,15-57)16-58,35(73)49-41(17-59,18-60)19-61)9-29-1-5-31(6-2-29)32-7-3-30(4-8-32)10-46(36(74)50-42(20-62,21-63)22-64,37(75)51-43(23-65,24-66)25-67)38(76)52-44(26-68,27-69)28-70/h1-8,53-70H,9-28H2,(H,47,71)(H,48,72)(H,49,73)(H,50,74)(H,51,75)(H,52,76)
InChIKey BVAUYECELMKHKC-UHFFFAOYSA-N
Mol Weight 1093.1 g/mol
Molecular Formula C46H72N6O24
Exact Mass 1092.459797 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID INBdeu3tdqX
Name #4;N,N'-BIS-[2-HYDROXY-1,1-BIS-(HYDROXYMETHYL)-ETHYL]-ALPHA,ALPHA,ALPHA',ALPHA'-TETRAKIS-[[[2-HYDROXY-1,1-BIS-(HYDROXYMETHYL)-ETHYL]-AMINO]-CARBONYL]-4,4'-BIPH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H72N6O24
InChI InChI=1S/C46H72N6O24/c53-11-39(12-54,13-55)47-33(71)45(34(72)48-40(14-56,15-57)16-58,35(73)49-41(17-59,18-60)19-61)9-29-1-5-31(6-2-29)32-7-3-30(4-8-32)10-46(36(74)50-42(20-62,21-63)22-64,37(75)51-43(23-65,24-66)25-67)38(76)52-44(26-68,27-69)28-70/h1-8,53-70H,9-28H2,(H,47,71)(H,48,72)(H,49,73)(H,50,74)(H,51,75)(H,52,76)
InChIKey BVAUYECELMKHKC-UHFFFAOYSA-N
Literature Reference Author G.R.NEWKOME,X.LIN,C.YAXIONG,G.H.ESCAMILLA
Literature Reference Citation J.ORG.CHEM.,58,3123(1993)
Literature Reference DOI 10.1021/jo00063a036
Molecular Weight 1093.103 g/mol
Solvent DMSO-D6
Source File Reference UWRK4187