Ginsenoside Rf
From Metabolomics.JP
				
								
				
				
																
				
				
								
				
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | [1] | 
| LipidMaps | [2] | 
| CAS | 52286-58-5 | 
| KEGG | {{{KEGG}}} | 
| KNApSAcK | |
| CDX file | |
| MOL file | Ginsenoside Rf.mol | 
| Ginsenoside Rf | |
|---|---|
  
 | |
| Structural Information | |
| Systematic Name | (3beta,alpha,12beta)-3,12,20-Trihydroxydammar-24-en-6-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside | 
| Common Name | 
  | 
| Symbol | |
| Formula | C42H72O14 | 
| Exact Mass | 800.492207012 | 
| Average Mass | 801.01268 | 
| SMILES |  C(C6)(C(C(C(CCC=C(C)C)(C)O)C6)5)(C(C(CC5O)4)(C)CC( | 
| 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 | 197 - 198 °C | 
| IR (KBr)1 | 3380 (OH), 1620 (C=C) cm-1 | 
| 13C-NMR (C5D5N, 25.15MHz)2 | C-1) 39.6, (2) 27.5, (3) 77.9, (4) 40.0, (5) 61.0, (6) 79.5, (7) 45.0, (8) 41.1, (9) 50.0, (10) 39.6, (11) 31.1, (12) 70.4, (13) 48.1, (14) 51.6, (15) 31.9, (16) 26.8, (17) 54.5, (18) 17.6, (19) 17.5, (20) 72.4, (21) 26.8, (22) 35.7, (23) 22.9, (24) 125.7, (25) 130.1, (26) 25.8, (27) 17.5, (28) 31.9, (29) 17.6, (30) 16.7 Glc I (1) 103.2, (2) 79.5, (3) 78.7, (4) 71.7, (5) 79.8, (6) 62.9 Glc II (1) 103.2, (2) 75.9, (3) 78.4, (4) 72.3, (5) 79.8, (6) 63.3 | 
| M.P.1 | 171 °C | 
| 1H-NMR (CDCl3)1 | 0.87 (s, CH3), 0.90 (s, CH3), 0.94 (s, CH3), 1.02 (s, CH3), 1.07 (s, CH3), 1.30 (s, CH3), 1.60 (s, CH3), 1.67 (s, CH3), 3.32-3.60 (9xOCH3), 4.34, 4.77 (each d, J=7.0 Hz, 2 x anomeric H), 5.14 (br, H-24) | 
1) S. Shibata et al., Chem.Pharm.Bull., 22, 2407 (1974)., 2) T. Fuwa et al., Chem.Pharm.Bull., 29, 2844 (1981).
