Ginsenoside Rs1
From Metabolomics.JP
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(New page: {{Hierarchy|{{PAGENAME}}}} {{Metabolite |SysName=(3beta,12beta)-20-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-(6-O-acetyl-beta-D-glucopyrano...) |
Latest revision as of 12:31, 16 February 2010
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 87733-67-3 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | Ginsenoside Rs1.mol |
| Ginsenoside Rs1 | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (3beta,12beta)-20-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-(6-O-acetyl-beta-D-glucopyranosyl)-beta-D-glucopyranoside |
| Common Name |
|
| Symbol | |
| Formula | C55H92O23 |
| Exact Mass | 1120.60293925 |
| Average Mass | 1121.30518 |
| SMILES | C(CC=C(C)C)C(OC(O7)C(O)C(O)C(O)C(COC(C(O)8)OCC(O)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
| IR (KBr) | 1735 (acetate) cm-1 |
| 13C-NMR (C5D5N, 25.15MHz) | C-1) 39.2, (2) 26.6, (3) 89.2, (4) 39.6, (5) 56.4, (6) 18.4, (7) 35.1, (8) 39.9, (9) 50.2, (10) 36.8, (11) 30.6, (12) 70.1, (13) 49.3, (14) 51.3, (15) 30.6, (16) 26.6, (17) 51.6, (18) 16.2, (19) 15.9, (20) 83.4, (21) 22.2, (22) 36.0, (23) 23.1, (24) 125.8, (25) 131.0, (26) 25.7, (27) 17.8, (28) 27.9, (29) 16.2, (30) 17.3 Glc I (1) 104.8, (2) 84.1, (3) 77.9, (4) 71.6, (5) 77.9, (6) 62.7 Glc II (1) 106.1, (2) 76.6, (3) 79.0, (4) 70.9, (5) 75.2, (6) 64.7 Glc III (1) 97.9, (2) 74.8, (3) 78.4, (4) 71.3, (5) 76.6, (6) 69.1 Ara(p) (1) 104.5, (2) 72.0, (3) 73.9, (4) 68.4, (5) 65.4, (CH3COO) 20.8, (CH3COO) 170.8 |
T. Fuwa et al., Chem.Pharm.Bull., 31, 2120 (1983).
