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1,3,5-TRIS-[(2R,3S,4R,5S)-2-CARBONYLAMINO-METHYL-5-METHYLPYRROLIDINE-3,4-DIOL]-BENZENE
SpectraBase Compound ID CsrIoWYjPt2
InChI InChI=1S/C27H42N6O9/c1-10-19(34)22(37)16(31-10)25(40)28-7-13-4-14(8-29-26(41)17-23(38)20(35)11(2)32-17)6-15(5-13)9-30-27(42)18-24(39)21(36)12(3)33-18/h4-6,10-12,16-24,31-39H,7-9H2,1-3H3,(H,28,40)(H,29,41)(H,30,42)/t10-,11-,12-,16+,17+,18+,19+,20+,21+,22-,23-,24-/m0/s1
InChIKey CZSIRXQJRCCVAX-VJCQJSIOSA-N
Mol Weight 594.7 g/mol
Molecular Formula C27H42N6O9
Exact Mass 594.301327 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CJgDdHdkZ3R
Name 1,3,5-TRIS-[(2R,3S,4R,5S)-2-CARBONYLAMINO-METHYL-5-METHYLPYRROLIDINE-3,4-DIOL]-BENZENE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H42N6O9
InChI InChI=1S/C27H42N6O9/c1-10-19(34)22(37)16(31-10)25(40)28-7-13-4-14(8-29-26(41)17-23(38)20(35)11(2)32-17)6-15(5-13)9-30-27(42)18-24(39)21(36)12(3)33-18/h4-6,10-12,16-24,31-39H,7-9H2,1-3H3,(H,28,40)(H,29,41)(H,30,42)/t10-,11-,12-,16+,17+,18+,19+,20+,21+,22-,23-,24-/m0/s1
InChIKey CZSIRXQJRCCVAX-VJCQJSIOSA-N
Literature Reference Author E.MORENO-CLAVIJO,A.T.CARMONA,A.J.MORENO-VARGAS,L.MOLINA,D.W. WRIGHT,G.J.DAVIES
Literature Reference Citation EUR.J.ORG.CHEM.,2013,7328(2013)
Literature Reference DOI 10.1002/ejoc.201300878
Molecular Weight 594.665 g/mol
Solvent CD3OD
Source File Reference UWBT20556