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N-[3-(5-HYDROXY-6-OCTADEC-9-ENYLOXYMETHOXYMETHYL-5,6-DIHYDRO-2H-PYRAN-2-YLOXY)-PROPYL]-GUANIDINIUM-HYDROCHLORIDE
SpectraBase Compound ID 7yIKbdfDvFl
InChI InChI=1S/C29H55N3O5.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-34-25-35-24-27-26(33)19-20-28(37-27)36-23-18-21-32-29(30)31;/h9-10,19-20,26-28,33H,2-8,11-18,21-25H2,1H3,(H4,30,31,32);1H/b10-9+;/t26-,27+,28-;/m0./s1
InChIKey ROYHUMBLBVOTAT-MZWDAWKUSA-N
Mol Weight 562.2 g/mol
Molecular Formula C29H56ClN3O5
Exact Mass 561.39085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4k5twS7U6QT
Name N-[3-(5-HYDROXY-6-OCTADEC-9-ENYLOXYMETHOXYMETHYL-5,6-DIHYDRO-2H-PYRAN-2-YLOXY)-PROPYL]-GUANIDINIUM-HYDROCHLORIDE
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H56ClN3O5
InChI InChI=1S/C29H55N3O5.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-34-25-35-24-27-26(33)19-20-28(37-27)36-23-18-21-32-29(30)31;/h9-10,19-20,26-28,33H,2-8,11-18,21-25H2,1H3,(H4,30,31,32);1H/b10-9+;/t26-,27+,28-;/m0./s1
InChIKey ROYHUMBLBVOTAT-MZWDAWKUSA-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 562.234 g/mol
Solvent CD3OD
Source File Reference UWLU35434