![OCTADEC-9-ENOIC-ACID-[6-(3-GUANIDINO-PROPOXY)-3-HYDROXY-3,6-DIHYDRO-2H-PYRAN-2-YLMETHYL]-AMIDE-HYDROGEN-SULFATE](/api/spectrum/JN6sYsdUnvq/structure.png?h=300&w=458 "OCTADEC-9-ENOIC-ACID-[6-(3-GUANIDINO-PROPOXY)-3-HYDROXY-3,6-DIHYDRO-2H-PYRAN-2-YLMETHYL]-AMIDE-HYDROGEN-SULFATE")
| SpectraBase Compound ID | CFipy15Lb0l |
|---|---|
| InChI | InChI=1S/C28H52N4O5.H2O4S/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;1-5(2,3)4/h9-10,19-20,24-25,27,32-33H,2-8,11-18,21-23H2,1H3,(H4,29,30,31);(H2,1,2,3,4)/b10-9-;/t24-,25+,27-;/m0./s1 |
| InChIKey | ZZLJOFYGSRFDQE-YOFMTTFASA-N |
| Mol Weight | 622.8 g/mol |
| Molecular Formula | C28H54N4O9S |
| Exact Mass | 622.36115 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JN6sYsdUnvq |
|---|---|
| Name | OCTADEC-9-ENOIC-ACID-[6-(3-GUANIDINO-PROPOXY)-3-HYDROXY-3,6-DIHYDRO-2H-PYRAN-2-YLMETHYL]-AMIDE-HYDROGEN-SULFATE |
| Compound Number | 7A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H54N4O9S |
| InChI | InChI=1S/C28H52N4O5.H2O4S/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;1-5(2,3)4/h9-10,19-20,24-25,27,32-33H,2-8,11-18,21-23H2,1H3,(H4,29,30,31);(H2,1,2,3,4)/b10-9-;/t24-,25+,27-;/m0./s1 |
| InChIKey | ZZLJOFYGSRFDQE-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 | 622.818 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU35424 |