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CYCLOASPEPTIDE_E

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CYCLOASPEPTIDE_E
SpectraBase Compound ID BBtyJz77vP8
InChI InChI=1S/C36H43N5O5/c1-23(2)20-29-36(46)41(5)31(22-26-16-10-7-11-17-26)33(43)38-28-19-13-12-18-27(28)32(42)37-24(3)35(45)40(4)30(34(44)39-29)21-25-14-8-6-9-15-25/h6-19,23-24,29-31H,20-22H2,1-5H3,(H,37,42)(H,38,43)(H,39,44)/t24-,29-,30-,31-/m1/s1
InChIKey RHOUSNKWOXJDCO-QWZKXEKUSA-N
Mol Weight 625.8 g/mol
Molecular Formula C36H43N5O5
Exact Mass 625.326419 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BbRiAqv7O4t
Name CYCLOASPEPTIDE_E
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H43N5O5
InChI InChI=1S/C36H43N5O5/c1-23(2)20-29-36(46)41(5)31(22-26-16-10-7-11-17-26)33(43)38-28-19-13-12-18-27(28)32(42)37-24(3)35(45)40(4)30(34(44)39-29)21-25-14-8-6-9-15-25/h6-19,23-24,29-31H,20-22H2,1-5H3,(H,37,42)(H,38,43)(H,39,44)/t24-,29-,30-,31-/m1/s1
InChIKey RHOUSNKWOXJDCO-QWZKXEKUSA-N
Literature Reference Author P.LEWER,P.R.GRAUPNER,D.R.HAHN,L.L.KARR,D.O.DUEBELBEIS,J.M.LI RA,P.B.ANZEVENO,S.C.
Literature Reference Citation J.NAT.PROD.,69,1506(2006)
Literature Reference DOI 10.1021/np060219c
Molecular Weight 625.768 g/mol
Solvent CDCl3
Source File Reference UWMZ15845