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(2R,3S)-1,3-BIS-O-(4-METHYLBENZOYL)-5,5-BIS-[5-[(2,4-OXO-5-IMIDAZOLIDINYLIDENE)-METHYL]-FURAN-2-YL]-PENTANE-1,2,3-TRIOL
SpectraBase Compound ID ImHLsdvJMZJ
InChI InChI=1S/C37H32N4O11/c1-19-3-7-21(8-4-19)34(45)49-18-28(42)31(52-35(46)22-9-5-20(2)6-10-22)17-25(29-13-11-23(50-29)15-26-32(43)40-36(47)38-26)30-14-12-24(51-30)16-27-33(44)41-37(48)39-27/h3-16,25,28,31,42H,17-18H2,1-2H3,(H2,38,40,43,47)(H2,39,41,44,48)/b26-15-,27-16-/t28-,31-/m0/s1
InChIKey MZNNBTDOMVBPRX-ZWZHAKLBSA-N
Mol Weight 708.7 g/mol
Molecular Formula C37H32N4O11
Exact Mass 708.206758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID An4x1z9CbCx
Name (2R,3S)-1,3-BIS-O-(4-METHYLBENZOYL)-5,5-BIS-[5-[(2,4-OXO-5-IMIDAZOLIDINYLIDENE)-METHYL]-FURAN-2-YL]-PENTANE-1,2,3-TRIOL
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H32N4O11
InChI InChI=1S/C37H32N4O11/c1-19-3-7-21(8-4-19)34(45)49-18-28(42)31(52-35(46)22-9-5-20(2)6-10-22)17-25(29-13-11-23(50-29)15-26-32(43)40-36(47)38-26)30-14-12-24(51-30)16-27-33(44)41-37(48)39-27/h3-16,25,28,31,42H,17-18H2,1-2H3,(H2,38,40,43,47)(H2,39,41,44,48)/b26-15-,27-16-/t28-,31-/m0/s1
InChIKey MZNNBTDOMVBPRX-ZWZHAKLBSA-N
Literature Reference Author A.A.EL-BARBARY,A.I.KHODAIR,E.B.PEDERSEN
Literature Reference Citation J.ORG.CHEM.,58,5994(1993)
Literature Reference DOI 10.1021/jo00074a028
Molecular Weight 708.681 g/mol
Solvent DMSO-D6
Source File Reference UWSP837