Ginsenoside Rb1
From Metabolomics.JP
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|KNApSAcK= | |KNApSAcK= | ||
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| + | ==Spectroscopic Data== | ||
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| + | {| class="wikitable" style="width:80%" | ||
| + | |- | ||
| + | | '''M.P.'''<sup>1</sup> || 197 - 198 °C | ||
| + | |- | ||
| + | | '''IR''' (KBr)<sup>3</sup>|| 3375, 1635, 1160, 1075, 1040, 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>|| 0.83 (s, CH<sub>3</sub>), 0.96 (s, 2xCH<sub>3</sub>), 1.08 (s, CH<sub>3</sub>), 1.26 (s, CH<sub>3</sub>), 1.63 (s, CH<sub>3</sub>), 1.64 (s, CH<sub>3</sub>), 1.65 (s, CH<sub>3</sub>), 4.85, 5.00, 5.07, 5.28 (each d, ''J''=7.0 Hz, 4 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) 26.6, (3) 89.3, (4) 39.6, (5) 56.3, (6) 18.6, (7) 35.1, (8) 39.9, (9) 50.1, (10) 36.8, (11) 30.8, (12) 70.1, (13) 49.3, (14) 51.3, (15) 30.8, (16) 26.6, (17) 51.6, (18) 16.2, (19) 15.9, (20) 83.5, (21) 22.6, (22) 36.1, (23) 23.1, (24) 125.8, (25) 131.0, (26) 25.8, (27) 17.9, (28) 28.0, (29) 16.5, (30) 17.3 '''Glc I''' (1) 105.0, (2) 82.9, (3) 77.2, (4) 71.5, (5) 78.0, (6) 62.6 '''Glc II''' (1) 105.6, (2) 76.7, (3) 78.8, (4) 71.5, (5) 78.0, (6) 62.6 '''Glc III''' (1) 97.9, (2) 74.9, (3) 78.0, (4) 71.5, (5) 76.7, (6) 71.5 '''Glc IV''' (1) 105.0, (2) 74.9, (3) 78.0, (4) 71.5, (5) 78.0, (6) 62.6 | ||
| + | |} | ||
| + | <small>1) S. Shibata et al., Chem.Pharm.Bull., 22, 412 (1974)., 2) T. Fuwa et al., Chem.Pharm.Bull., 32, 1188 (1984)., 3) M. Okuhira et al., Yakugaku Zasshi, 103, 173 (1983).</small> | ||
Latest revision as of 09:51, 16 February 2010
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 41753-43-9 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | Ginsenoside Rb1.mol |
| Ginsenoside Rb1 | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (3beta,12beta)-20-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside |
| Common Name |
|
| Symbol | |
| Formula | C54H92O23 |
| Exact Mass | 1108.60293925 |
| Average Mass | 1109.29448 |
| SMILES | C(OC(O8)(C(C(C(O)C8CO)O)OC(O7)(C(O)C(C(C7CO)O)O)[H |
| 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 | 197 - 198 °C |
| IR (KBr)3 | 3375, 1635, 1160, 1075, 1040, 1015, 985 cm-1 |
| 1H-NMR (C5D5N, 100 MHz)3 | 0.83 (s, CH3), 0.96 (s, 2xCH3), 1.08 (s, CH3), 1.26 (s, CH3), 1.63 (s, CH3), 1.64 (s, CH3), 1.65 (s, CH3), 4.85, 5.00, 5.07, 5.28 (each d, J=7.0 Hz, 4 x anomeric H), 5.30 (m, H-24) |
| 13C-NMR (C5D5N, 25.15MHz)2 | C-1) 39.1, (2) 26.6, (3) 89.3, (4) 39.6, (5) 56.3, (6) 18.6, (7) 35.1, (8) 39.9, (9) 50.1, (10) 36.8, (11) 30.8, (12) 70.1, (13) 49.3, (14) 51.3, (15) 30.8, (16) 26.6, (17) 51.6, (18) 16.2, (19) 15.9, (20) 83.5, (21) 22.6, (22) 36.1, (23) 23.1, (24) 125.8, (25) 131.0, (26) 25.8, (27) 17.9, (28) 28.0, (29) 16.5, (30) 17.3 Glc I (1) 105.0, (2) 82.9, (3) 77.2, (4) 71.5, (5) 78.0, (6) 62.6 Glc II (1) 105.6, (2) 76.7, (3) 78.8, (4) 71.5, (5) 78.0, (6) 62.6 Glc III (1) 97.9, (2) 74.9, (3) 78.0, (4) 71.5, (5) 76.7, (6) 71.5 Glc IV (1) 105.0, (2) 74.9, (3) 78.0, (4) 71.5, (5) 78.0, (6) 62.6 |
1) S. Shibata et al., Chem.Pharm.Bull., 22, 412 (1974)., 2) T. Fuwa et al., Chem.Pharm.Bull., 32, 1188 (1984)., 3) M. Okuhira et al., Yakugaku Zasshi, 103, 173 (1983).
