Ginsenoside Rd
From Metabolomics.JP
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 52705-93-8 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | Ginsenoside Rd.mol |
| Ginsenoside Rd | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (3beta,12beta)-20-(beta-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside |
| Common Name |
|
| Symbol | |
| Formula | C48H82O18 |
| Exact Mass | 946.55011582 |
| Average Mass | 947.15388 |
| SMILES | C(C1)(O)C(C([H])6C(C)(CCC=C(C)C)OC(C(O)7)OC(CO)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 | |
Spectroscopic Data
| M.P.1 | 206 - 209 °C |
| IR (KBr)3 | 3375, 1640, 1155, 1075, 1035, 1015, 985 cm-1 |
| 1H-NMR (C5D5N, 100 MHz)3 | 0.84 (s, CH3), 0.97 (s, 2xCH3), 1.11 (s, CH3), 1.29 (s, CH3), 1.63 (s, 3xCH3), 4.90, 5.16 and 5.34 (each d, J=7.0 Hz, 3 x anomeric H), 5.30 (m, H-24) |
| 13C-NMR (C5D5N, 25.15MHz)2 | C-1) 39.1, (2) 26.7, (3) 88.9, (4) 39.6, (5) 56.4, (6) 18.5, (7) 35.2, (8) 40.0, (9) 50.2, (10) 36.9, (11) 30.8, (12) 70.2, (13) 49.4, (14) 51.4, (15) 30.8, (16) 26.7, (17) 51.7, (18) 15.9, (19) 16.3, (20) 83.3, (21) 22.4, (22) 36.0, (23) 23.2, (24) 125.9, (25) 130.9, (26) 25.8, (27) 16.6, (28) 28.0, (29) 17.3, (30) 17.8 Glc I (1) 105.0, (2) 83.3, (3) 78.1, (4) 71.6, (5) 78.1, (6) 62.7 Glc II (1) 105.9, (2) 77.0, (3) 79.1, (4) 71.6, (5) 78.1, (6) 62.7 Glc III (1) 98.2, (2) 75.0, (3) 78.1, (4) 71.6, (5) 78.1, (6) 62.7 |
1) S. Shibata et al., Chem.Pharm.Bull., 22, 421 (1974)., 2) S. Yahara et al., Phytochemistry, 17, 1353 (1978)., 3) M. Okuhira et al., Yakugaku Zasshi, 103, 173 (1983).
