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(2-S)-1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-[(2-AMINO-5-METHOXY-1,4-PHENYLENE)-CARBONYL]]-BIS-[2-(HYDROXYMETHYL)-4-METHYLIDENEPYRROLIDINE]

View entire compound with spectra: 1 NMR

(2-S)-1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-[(2-AMINO-5-METHOXY-1,4-PHENYLENE)-CARBONYL]]-BIS-[2-(HYDROXYMETHYL)-4-METHYLIDENEPYRROLIDINE]
SpectraBase Compound ID 2jXy8WTTYug
InChI InChI=1S/C31H40N4O8/c1-18-8-20(16-36)34(14-18)30(38)22-10-26(40-3)28(12-24(22)32)42-6-5-7-43-29-13-25(33)23(11-27(29)41-4)31(39)35-15-19(2)9-21(35)17-37/h10-13,20-21,36-37H,1-2,5-9,14-17,32-33H2,3-4H3/t20-,21-/m0/s1
InChIKey LNMZPEXZTHXXLM-SFTDATJTSA-N
Mol Weight 596.7 g/mol
Molecular Formula C31H40N4O8
Exact Mass 596.284614 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LHFwnpzPD4N
Name (2-S)-1,1'-[[(PROPANE-1,3-DIYL)-DIOXY]-BIS-[(2-AMINO-5-METHOXY-1,4-PHENYLENE)-CARBONYL]]-BIS-[2-(HYDROXYMETHYL)-4-METHYLIDENEPYRROLIDINE]
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H40N4O8
InChI InChI=1S/C31H40N4O8/c1-18-8-20(16-36)34(14-18)30(38)22-10-26(40-3)28(12-24(22)32)42-6-5-7-43-29-13-25(33)23(11-27(29)41-4)31(39)35-15-19(2)9-21(35)17-37/h10-13,20-21,36-37H,1-2,5-9,14-17,32-33H2,3-4H3/t20-,21-/m0/s1
InChIKey LNMZPEXZTHXXLM-SFTDATJTSA-N
Literature Reference Author S.J.GREGSON,P.W.HOWARD,J.A.HARTLEY,N.A.BROOKS,L.J.ADAMS,T.C. JENKINS,L.R.KELLAND,
Literature Reference Citation J.MED.CHEM.,44,737(2001)
Literature Reference DOI 10.1021/jm001064n
Molecular Weight 596.681 g/mol
Sample ID 44351
Solvent CDCl3