Ginsenoside Rd
From Metabolomics.JP
(Difference between revisions)
(New page: {{Hierarchy|{{PAGENAME}}}} {{Metabolite |SysName=(3.beta.,12.beta.)-20-(.beta.-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranoside |C...) |
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{{Metabolite | {{Metabolite | ||
| − | |SysName=( | + | |SysName=(3beta,12beta)-20-(beta-D-Glucopyranosyloxy)-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside |
| − | |Common Name=&&Ginsenoside Rd&& | + | |Common Name=&&Ginsenoside Rd&&dammarane beta-D-Glucopyranoside deriv.&&Gypenoside VIII&& |
|CAS=52705-93-8 | |CAS=52705-93-8 | ||
|KNApSAcK= | |KNApSAcK= | ||
}} | }} | ||
| + | |||
| + | |||
| + | ==Spectroscopic Data== | ||
| + | |||
| + | {| class="wikitable" style="width:80%" | ||
| + | |- | ||
| + | | '''M.P.'''<sup>1</sup> || 206 - 209 °C | ||
| + | |- | ||
| + | | '''IR''' (KBr)<sup>3</sup>|| 3375, 1640, 1155, 1075, 1035, 1015, 985 cm<sup>-1</sup> | ||
| + | |- | ||
| + | | '''<sup>1</sup>H-NMR''' (C<sub>5</sub>D<sub>5</sub>N, 100 MHz)<sup>3</sup>|| 0.84 (s, CH<sub>3</sub>), 0.97 (s, 2xCH<sub>3</sub>), 1.11 (s, CH<sub>3</sub>), 1.29 (s, CH<sub>3</sub>), 1.63 (s, 3xCH<sub>3</sub>), 4.90, 5.16 and 5.34 (each d, ''J''=7.0 Hz, 3 x anomeric H), 5.30 (m, H-24) | ||
| + | |- | ||
| + | | '''<sup>13</sup>C-NMR''' (C<sub>5</sub>D<sub>5</sub>N, 25.15MHz)<sup>2</sup>|| 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 | ||
| + | |} | ||
| + | <small>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).</small> | ||
Latest revision as of 10:43, 16 February 2010
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 | |
[edit] 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).
