Ginsenoside Rf

From Metabolomics.JP
Jump to: navigation, search



Upper classes



Ginsenoside Rf
Ginsenoside Rf.png
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
  • Ginsenoside Rf
  • Panaxoside Rf
  • Dammarane beta-D-glucopyranoside deriv.
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(C(C(C)43)C(C(CC3)O)(C)C)OC(C(OC(C2O)OC(CO)C(C2O)O)1)OC(C(C1O)O)CO)C
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

Free alcohol
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
Methylate
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).

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox