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TETRADECANOIC-ACID-[6-(3-GUANIDINO-PROPOXY)-3-TETRADECYLOXYMETHOXY-3,6-DIHYDRO-2H-PYRAN-2-YLMETHYL]-AMIDE-HYDROCHLORIDE
SpectraBase Compound ID 4wG2spBxr8v
InChI InChI=1S/C39H76N4O5.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-45-34-47-35-28-29-38(46-32-26-30-42-39(40)41)48-36(35)33-43-37(44)27-24-22-20-18-16-14-12-10-8-6-4-2;/h28-29,35-36,38H,3-27,30-34H2,1-2H3,(H,43,44)(H4,40,41,42);1H/t35-,36+,38-;/m0./s1
InChIKey MLVRDWBHFNVSQP-HXQPFWHPSA-N
Mol Weight 717.5 g/mol
Molecular Formula C39H77ClN4O5
Exact Mass 716.558249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DYOdkA5V96r
Name TETRADECANOIC-ACID-[6-(3-GUANIDINO-PROPOXY)-3-TETRADECYLOXYMETHOXY-3,6-DIHYDRO-2H-PYRAN-2-YLMETHYL]-AMIDE-HYDROCHLORIDE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H77ClN4O5
InChI InChI=1S/C39H76N4O5.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-31-45-34-47-35-28-29-38(46-32-26-30-42-39(40)41)48-36(35)33-43-37(44)27-24-22-20-18-16-14-12-10-8-6-4-2;/h28-29,35-36,38H,3-27,30-34H2,1-2H3,(H,43,44)(H4,40,41,42);1H/t35-,36+,38-;/m0./s1
InChIKey MLVRDWBHFNVSQP-HXQPFWHPSA-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 717.517 g/mol
Solvent CDCl3
Source File Reference UWLU35428