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CYCLO-(L-N-ME-PHE-L-ILE)2
SpectraBase Compound ID 5XTWuvfTZsF
InChI InChI=1S/C32H44N4O4/c1-7-21(3)27-31(39)35(5)26(20-24-17-13-10-14-18-24)30(38)34-28(22(4)8-2)32(40)36(6)25(29(37)33-27)19-23-15-11-9-12-16-23/h9-18,21-22,25-28H,7-8,19-20H2,1-6H3,(H,33,37)(H,34,38)/t21-,22-,25-,26-,27-,28-/m0/s1
InChIKey ZHRZJBVCMAGJJK-XGSSJENOSA-N
Mol Weight 548.7 g/mol
Molecular Formula C32H44N4O4
Exact Mass 548.336256 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1XWB51xR9L0
Name CYCLO-(L-N-ME-PHE-L-ILE)2
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H44N4O4
InChI InChI=1S/C32H44N4O4/c1-7-21(3)27-31(39)35(5)26(20-24-17-13-10-14-18-24)30(38)34-28(22(4)8-2)32(40)36(6)25(29(37)33-27)19-23-15-11-9-12-16-23/h9-18,21-22,25-28H,7-8,19-20H2,1-6H3,(H,33,37)(H,34,38)/t21-,22-,25-,26-,27-,28-/m0/s1
InChIKey ZHRZJBVCMAGJJK-XGSSJENOSA-N
Literature Reference Author I.PEREZ-VICTORIA,J.MARTIN,V.GONZALEZ-MENENDEZ,N.DEPEDRO,N.EL AOUAD,F.J.ORTIZ-LOPE
Literature Reference Citation J.NAT.PROD.,75,1210(2012)
Literature Reference DOI 10.1021/np3000987
Molecular Weight 548.726 g/mol
Sample ID 41225
Solvent CD3OD