Licoricesaponin C2
From Metabolomics.JP
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| + | ==NMR Data== | ||
| + | [[Image:Licoricesaponin c2 ester hnmr.PNG|thumb|600px|none|<sup>1</sup>H-NMR Licoricesaponin C2 Methyl ester / pyridine-<i>d</i><sub>5</sub>]] | ||
Revision as of 15:37, 9 February 2010
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 118525-49-8 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | Licoricesaponin C2.mol |
| Licoricesaponin C2 | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (3beta,20beta)-20-Carboxy-30-noroleana-11,13(18)-dien-3-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid |
| Common Name |
|
| Symbol | |
| Formula | C42H62O15 |
| Exact Mass | 806.408871314 |
| Average Mass | 806.93268 |
| SMILES | C(O)(=O)C(C7)(CC(=C12)C(C)(C7)CCC(C)1C(C6)(C)C(C(C |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
NMR Data
Spectroscopic Data
| M.P. | 249 - 251 °C |
| IR (KBr) | 3400 (OH), 1710 (COOH), 1640 cm-1 |
| M.P. | 174 - 176 °C |
| 13C-NMR (C5D5N, 22.5MHz) | C-3) 89.5, (11) 125.5, (12) 126.7, (13) 135.8, (14) 135.8, (18) 39.9, (22) 178.4 GlcUA I (1) 104.8, (2) 84.3, (3) 76.5, (4) 72.4, (5) 77.2, (6) 169.8 GlcUA II (1)106.6, (2) 76.5, (3) 77.4, (4) 72.7, (5) 77.2, (6) 170.1 |
M. Yoshikawa et al., Chem.Pharm.Bull., 36, 3710 (1988).
