Ginsenoside Rs2
From Metabolomics.JP
(Difference between revisions)
(New page: {{Hierarchy|{{PAGENAME}}}} {{Metabolite |SysName=(3beta,12beta)-20-[(6-O-alpha-L-Arabinofuranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-(6-O-acetyl-beta-D-glucopyrano...) |
Latest revision as of 12:37, 16 February 2010
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 87733-66-2 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | Ginsenoside Rs2.mol |
| Ginsenoside Rs2 | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (3beta,12beta)-20-[(6-O-alpha-L-Arabinofuranosyl-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 | OC(C8CO)C(O)C(O8)OCC(O1)C(O)C(C(C1OC(C)(C(C72)CCC( |
| 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
| 13C-NMR (C5D5N, 25.15MHz) | C-1) 39.5, (2) 26.8, (3) 89.5, (4) 39.8, (5) 56.7, (6) 18.6, (7) 35.3, (8) 40.3, (9) 50.4, (10) 37.2, (11) 31.0, (12) 70.3, (13) 49.6, (14) 51.5, (15) 31.0, (16) 26.8, (17) 51.8, (18) 16.2, (19) 16.2, (20) 83.6, (21) 22.4, (22) 36.3, (23) 23.2, (24) 126.0, (25) 131.0, (26) 25.7, (27) 18.0, (28) 28.2, (29) 16.6, (30) 17.6 Glc-6-Ac (1) 104.9, (2) 83.4, (3) 78.0, (4) 71.5, (5) 74.6, (6) 64.5 Glc I (1) 105.9, (2) 76.7, (3) 79.1, (4) 71.8, (5) 78.0, (6) 63.0 Glc II (1) 98.0, (2) 74.9, (3) 78.0, (4) 71.8, (5) 76.9, (6) 70.0 Xyl (1) 105.4, (2) 74.6, (3) 77.6, (4) 71.1, (5) 66.7, (CH3CO) 20.8, (CH3CO) 170.6 |
S. Yahara et al., Phytochemistry, 17, 1353 (1978).
