Aconitine
From Metabolomics.JP
(Difference between revisions)
(New page: {{Hierarchy|{{PAGENAME}}}} {{Metabolite |SysName=(1.alpha.,3.alpha.,6.alpha.,14.alpha.,15.alpha.,16.beta.)-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-Aconitane-3,8,13,14,15-pentol 8-ace...) |
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{{Metabolite | {{Metabolite | ||
| − | |SysName=( | + | |SysName=(1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-aconitane-3,8,13,14,15-pentol 8-acetate 14-benzoate |
| − | |Common Name=&&Aconitine&&1- | + | |Common Name=&&Aconitine&&1-Ethyldecahydro-6,10,13-trimethoxy-3-(methoxymethyl)-2H-12,3,6a-ethanylylidene-7,9-methanonaphth[2,3-b]azocine-4,8,9,11,11a(1H,7H)-pentol 11a-acetate 8-benzoate&&2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine aconitane-3,8,13,14,15-pentol deriv.&& |
|CAS=302-27-2 | |CAS=302-27-2 | ||
|KNApSAcK= | |KNApSAcK= | ||
}} | }} | ||
Latest revision as of 13:05, 19 December 2009
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 302-27-2 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | Aconitine.mol |
| Aconitine | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (1alpha,3alpha,6alpha,14alpha,15alpha,16beta)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)-aconitane-3,8,13,14,15-pentol 8-acetate 14-benzoate |
| Common Name |
|
| Symbol | |
| Formula | C34H47NO11 |
| Exact Mass | 645.314911351 |
| Average Mass | 645.73712 |
| SMILES | OC(C6OC)(C1)C(OC(=O)c(c7)cccc7)C(C(OC(C)=O)(C6O)2) |
| Physicochemical Information | |
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| Reflactive Index | |
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| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
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| NMR Spectra | |
| Chromatograms | |
