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OCTADEC-9-ENOIC-ACID-[6-(3-GUANIDINO-PROPOXY)-3-HYDROXY-3,6-DIHYDRO-2H-PYRAN-2-YLMETHYL]-AMIDE-HYDROGEN-HYDROCHLORIDE
SpectraBase Compound ID Faa8cPT55aO
InChI InChI=1S/C28H52N4O5.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-26(34)37-32-23-25-24(33)19-20-27(36-25)35-22-17-21-31-28(29)30;/h9-10,19-20,24-25,27,32-33H,2-8,11-18,21-23H2,1H3,(H4,29,30,31);1H/b10-9-;/t24-,25+,27-;/m0./s1
InChIKey HQCPSZAMABDGRG-YOFMTTFASA-N
Mol Weight 561.2 g/mol
Molecular Formula C28H53ClN4O5
Exact Mass 560.370449 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GiL2kZJl0Cn
Name OCTADEC-9-ENOIC-ACID-[6-(3-GUANIDINO-PROPOXY)-3-HYDROXY-3,6-DIHYDRO-2H-PYRAN-2-YLMETHYL]-AMIDE-HYDROGEN-HYDROCHLORIDE
Compound Number 7B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H53ClN4O5
InChI InChI=1S/C28H52N4O5.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-26(34)37-32-23-25-24(33)19-20-27(36-25)35-22-17-21-31-28(29)30;/h9-10,19-20,24-25,27,32-33H,2-8,11-18,21-23H2,1H3,(H4,29,30,31);1H/b10-9-;/t24-,25+,27-;/m0./s1
InChIKey HQCPSZAMABDGRG-YOFMTTFASA-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 561.206 g/mol
Solvent CDCl3
Source File Reference UWLU35425