6''-Malonoylginsenoside Rd
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 88140-37-8 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | 6''-Malonoylginsenoside Rd.mol |
| Malonylginsenoside Rd | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (3beta,12beta)-20-(beta-D-glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-[6-O-(carboxyacetyl)-beta-D-glucopyranosyl]-beta-D-Glucopyranoside |
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| Exact Mass | |
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| SMILES | |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
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| Reflactive Index | |
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| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
Spectroscopic Data
| M.P. | 158 - 161 °C |
| IR (KBr) | 3383 (br), 2937, 1738, 1074, 1632, 1383 cm-1 |
| M.P. | 182 - 183 °C |
| 1H-NMR (C5D5N) | 0.86 (s, CH3), 0.96 (s, CH3), 1.14 (s, CH3), 1.33 (s, CH3), 1.59 (s, 6H, 3xH-26 and 3xH-27), 3.63 (s, COOCH3), 3.69 (s, CO-CH2-CO) |
| 13C-NMR (C5D5N, 22.5MHz) | C-3) 39.3, (12) 70.2, (20) 83.3 Glc I (1) 104.8, (2) 84.1, (3) 78.4, (4) 71.6, (5) 79.0, (6) 62.8 Glc II (1) 106.0, (2) 76.6, (3) 79.6, (4) 70.9, (5) 75.1, (6) 65.5 Glc III (1) 98.2, (2) 75.1, (3) 78.1, (4) 71.6, (5) 77.9, (6) 62.8 Malonoyl (1) 167.2, (2) 41.6, (3) 167.2, (OCH3) 52.2 |
Y. Nakagawa et al., Chem.Pharm.Bull., 37, 2961 (1989).
