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LABD-8(9)-EN-15,19-DIOIC-ACID-15-TRYPTOPHANYL-METHYLESTER-AMIDE
SpectraBase Compound ID Awh1wkBHkuN
InChI InChI=1S/C32H44N2O5/c1-20(11-13-24-21(2)12-14-27-31(24,3)15-8-16-32(27,4)30(37)38)17-28(35)34-26(29(36)39-5)18-22-19-33-25-10-7-6-9-23(22)25/h6-7,9-10,19-20,26-27,33H,8,11-18H2,1-5H3,(H,34,35)(H,37,38)/t20-,26+,27-,31-,32+/m1/s1
InChIKey INXPUVSVSYJUFY-IMAODNNNSA-N
Mol Weight 536.7 g/mol
Molecular Formula C32H44N2O5
Exact Mass 536.325023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3krviXqCjlS
Name LABD-8(9)-EN-15,19-DIOIC-ACID-15-TRYPTOPHANYL-METHYLESTER-AMIDE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H44N2O5
InChI InChI=1S/C32H44N2O5/c1-20(11-13-24-21(2)12-14-27-31(24,3)15-8-16-32(27,4)30(37)38)17-28(35)34-26(29(36)39-5)18-22-19-33-25-10-7-6-9-23(22)25/h6-7,9-10,19-20,26-27,33H,8,11-18H2,1-5H3,(H,34,35)(H,37,38)/t20-,26+,27-,31-,32+/m1/s1
InChIKey INXPUVSVSYJUFY-IMAODNNNSA-N
Literature Reference Author G.SCHMEDA-HIRSCHMANN,M.W.PERTINO,J.A.RODRIGUEZ,F.MONSALVE,D. DROGUETT,C.THEODULOZ
Literature Reference Citation MOLECULES,15,7378(2010)
Literature Reference DOI 10.3390/molecules15107378
Molecular Weight 536.712 g/mol
Sample ID 72514
Solvent CDCl3