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DESMETHYLISARIDIN_E;CYCLO-(-PHE-(1)-PRO-(2)-HMPA-(3)-BETA-ALA-(4)-N-ME-VAL-(5)-VAL-(6))
SpectraBase Compound ID LfT0wG6yInf
InChI InChI=1S/C34H51N5O7/c1-20(2)18-26-33(44)39-17-11-14-25(39)31(42)36-24(19-23-12-9-8-10-13-23)30(41)37-28(21(3)4)34(45)38(7)29(22(5)6)32(43)35-16-15-27(40)46-26/h8-10,12-13,20-22,24-26,28-29H,11,14-19H2,1-7H3,(H,35,43)(H,36,42)(H,37,41)/t24-,25+,26-,28-,29-/m0/s1
InChIKey RCPWUQRPXYBTHY-GCNJZUOMSA-N
Mol Weight 641.8 g/mol
Molecular Formula C34H51N5O7
Exact Mass 641.378849 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H8AsEnHYdHH
Name DESMETHYLISARIDIN_E;CYCLO-(-PHE-(1)-PRO-(2)-HMPA-(3)-BETA-ALA-(4)-N-ME-VAL-(5)-VAL-(6))
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H51N5O7
InChI InChI=1S/C34H51N5O7/c1-20(2)18-26-33(44)39-17-11-14-25(39)31(42)36-24(19-23-12-9-8-10-13-23)30(41)37-28(21(3)4)34(45)38(7)29(22(5)6)32(43)35-16-15-27(40)46-26/h8-10,12-13,20-22,24-26,28-29H,11,14-19H2,1-7H3,(H,35,43)(H,36,42)(H,37,41)/t24-,25+,26-,28-,29-/m0/s1
InChIKey RCPWUQRPXYBTHY-GCNJZUOMSA-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 641.808 g/mol
Sample ID 42711
Solvent CDCl3