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N-[3-(5-TETRADECYLOXYMETHOXY-6-TETRADECYLOXYMETHOXYMETHYL-5,6-DIHYDRO-2H-PYRAN-2-YLOXY)-PROPYL]-GUANIDINIUM-SULFATE
SpectraBase Compound ID ATEyJ0kSEKi
InChI InChI=1S/C40H79N3O6.H2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-44-35-46-34-38-37(28-29-39(49-38)47-33-27-30-43-40(41)42)48-36-45-32-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5(2,3)4/h28-29,37-39H,3-27,30-36H2,1-2H3,(H4,41,42,43);(H2,1,2,3,4)/t37-,38+,39-;/m0./s1
InChIKey GGMGBXJSVTWZIF-KYVYFVFCSA-N
Mol Weight 796.2 g/mol
Molecular Formula C40H81N3O10S
Exact Mass 795.564267 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69dFkUpzg3p
Name N-[3-(5-TETRADECYLOXYMETHOXY-6-TETRADECYLOXYMETHOXYMETHYL-5,6-DIHYDRO-2H-PYRAN-2-YLOXY)-PROPYL]-GUANIDINIUM-SULFATE
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H81N3O10S
InChI InChI=1S/C40H79N3O6.H2O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-44-35-46-34-38-37(28-29-39(49-38)47-33-27-30-43-40(41)42)48-36-45-32-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5(2,3)4/h28-29,37-39H,3-27,30-36H2,1-2H3,(H4,41,42,43);(H2,1,2,3,4)/t37-,38+,39-;/m0./s1
InChIKey GGMGBXJSVTWZIF-KYVYFVFCSA-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 796.157 g/mol
Solvent DMSO-D6
Source File Reference UWLU35436