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N-[3-(5-HYDROXY-6-TETRADECYLOXYMETHOXYMETHYL-5,6-DIHYDRO-2H-PYRAN-2-YLOXY)-PROPYL]-GUANIDINIUM-CHLORIDE
SpectraBase Compound ID 4QkUXRQmMYI
InChI InChI=1S/C25H49N3O5.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-30-21-31-20-23-22(29)15-16-24(33-23)32-19-14-17-28-25(26)27;/h15-16,22-24,29H,2-14,17-21H2,1H3,(H4,26,27,28);1H/t22-,23+,24-;/m0./s1
InChIKey JYYUMIUGDAIUKG-ZPMIJRNTSA-N
Mol Weight 508.1 g/mol
Molecular Formula C25H50ClN3O5
Exact Mass 507.343899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4e7SIOizv17
Name N-[3-(5-HYDROXY-6-TETRADECYLOXYMETHOXYMETHYL-5,6-DIHYDRO-2H-PYRAN-2-YLOXY)-PROPYL]-GUANIDINIUM-CHLORIDE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H50ClN3O5
InChI InChI=1S/C25H49N3O5.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-30-21-31-20-23-22(29)15-16-24(33-23)32-19-14-17-28-25(26)27;/h15-16,22-24,29H,2-14,17-21H2,1H3,(H4,26,27,28);1H/t22-,23+,24-;/m0./s1
InChIKey JYYUMIUGDAIUKG-ZPMIJRNTSA-N
Literature Reference Author J.HERSCOVICI,M.J.EGRON,A.QUENOT,F.LECLERCQ,N.LEFORESTIER,N.M IGNET,B.WETZER,D.SCH
Literature Reference Citation ORG.LETTERS,3,1893(2001)
Literature Reference DOI 10.1021/ol0159423
Molecular Weight 508.142 g/mol
Solvent DMSO-D6
Source File Reference UWLU35435