Mesaconitine
From Metabolomics.JP
(Difference between revisions)
(New page: {{Hierarchy|{{PAGENAME}}}} {{Metabolite |SysName=(1.alpha.,3.alpha.,6.alpha.,14.alpha.,15.alpha.,16.beta.)-1,6,16-trimethoxy-4-(methoxymethyl)-20-methyl-Aconitane-3,8,13,14,15-pentol 8-ac...) |
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{{Metabolite | {{Metabolite | ||
| − | |SysName=( | + | |SysName=(1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-1,6,16-Trimethoxy-4-(methoxymethyl)-20-methyl-aconitane-3,8,13,14,15-pentol 8-acetate 14-benzoate |
| − | |Common Name=&&Mesaconitine&&2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine | + | |Common Name=&&Mesaconitine&&2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine aconitane-3,8,13,14,15-pentol deriv.&& |
|CAS=2752-64-9 | |CAS=2752-64-9 | ||
|KNApSAcK= | |KNApSAcK= | ||
}} | }} | ||
Latest revision as of 15:12, 19 December 2009
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 2752-64-9 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | Mesaconitine.mol |
| Mesaconitine | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-1,6,16-Trimethoxy-4-(methoxymethyl)-20-methyl-aconitane-3,8,13,14,15-pentol 8-acetate 14-benzoate |
| Common Name |
|
| Symbol | |
| Formula | C33H45NO11 |
| Exact Mass | 631.299261287 |
| Average Mass | 631.71054 |
| SMILES | C(C2)(C7OC)(O)C(C(C(C(O)7)(OC(C)=O)6)(C([H])(C(C45 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
