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DESMETHYLISARIDIN_C2;CYCLO-(-PHE-(1)-BETA-ME-PRO-(2)-HMPA-(3)-BETA-ALA-(4)-N-ME-VAL-(5)-VAL-(6))
SpectraBase Compound ID LsSFcftdlWX
InChI InChI=1S/C35H53N5O7/c1-20(2)18-26-34(45)40-17-15-23(7)30(40)33(44)37-25(19-24-12-10-9-11-13-24)31(42)38-28(21(3)4)35(46)39(8)29(22(5)6)32(43)36-16-14-27(41)47-26/h9-13,20-23,25-26,28-30H,14-19H2,1-8H3,(H,36,43)(H,37,44)(H,38,42)/t23-,25-,26+,28-,29-,30-/m0/s1
InChIKey YCGVVPXVWFYGHR-DVMYKRCESA-N
Mol Weight 655.8 g/mol
Molecular Formula C35H53N5O7
Exact Mass 655.394499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9LERni6MJgP
Name DESMETHYLISARIDIN_C2;CYCLO-(-PHE-(1)-BETA-ME-PRO-(2)-HMPA-(3)-BETA-ALA-(4)-N-ME-VAL-(5)-VAL-(6))
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H53N5O7
InChI InChI=1S/C35H53N5O7/c1-20(2)18-26-34(45)40-17-15-23(7)30(40)33(44)37-25(19-24-12-10-9-11-13-24)31(42)38-28(21(3)4)35(46)39(8)29(22(5)6)32(43)36-16-14-27(41)47-26/h9-13,20-23,25-26,28-30H,14-19H2,1-8H3,(H,36,43)(H,37,44)(H,38,42)/t23-,25-,26+,28-,29-,30-/m0/s1
InChIKey YCGVVPXVWFYGHR-DVMYKRCESA-N
Literature Reference Author Y.M.CHUNG,M.EL-SHAZLY,D.W.CHUANG,T.L.HWANG,T.ASAI,Y.OSHIMA,M .L.ASHOUR,Y.C.WU,F.R
Literature Reference Citation J.NAT.PROD.,76,1260(2013)
Literature Reference DOI 10.1021/np400143j
Molecular Weight 655.835 g/mol
Sample ID 42712
Solvent CDCl3