Ginsenoside Rg1
From Metabolomics.JP
Upper classes
IDs and Links | |
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LipidBank | [1] |
LipidMaps | [2] |
CAS | 22427-39-0 |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | Ginsenoside Rg1.mol |
Ginsenoside Rg1 | |
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Structural Information | |
Systematic Name | (3beta,6alpha,12beta)-3,12-Dihydroxydammar-24-ene-6,20-diyl bis-beta-D-glucopyranoside |
Common Name |
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Symbol | |
Formula | C42H72O14 |
Exact Mass | 800.492207012 |
Average Mass | 801.01268 |
SMILES | C(C6)(C32C)([H])C(C(C)(C4(C(O)6)[H])CCC(C(OC(C(O)5 |
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 | 194 – 196.5 °C |
IR (KBr)1 | 3380 (OH), 1620 (C=C) cm-1 |
13C-NMR (C5D5, 25.15MHz)2 | C-1) 39.5, (2) 27.6, (3) 78.6, (4) 40.1, (5) 61.3, (6) 77.8, (7) 44.9, (8) 41.0, (9) 49.9, (10) 39.5, (11) 30.8, (12) 70.3, (13) 48.9, (14) 51.3, (15) 30.6, (16) 26.4, (17) 51.6, (18) 17.4, (19) 17.4, (20) 83.3, (21) 22.3, (22) 35.9, (23) 23.2, (24) 125.8, (25) 130.9, (26) 25.7, (27) 17.7, (28) 31.6, (29) 16.2, (30) 17.0 Glc I (1) 105.7, (2) 75.3, (3) 80.0, (4) 71.6, (5) 79.3, (6) 62.9 Glc II (1) 98.1, (2) 74.9, (3) 78.8, (4) 71.3, (5) 77.8, (6) 62.6 |
M.P.1 | 242 - 243 °C |
1H-NMR (CDCl3N, 100 MHz)1 | 0.96 (s, 3xCH3), 1.03 (s, CH3), 1.05 (s, CH3), 1.18 (s, CH3), 1.59 and 1.65 (each s, 3xH-26 and 3xH-27), 1.96 (s, OCOCH3), 1.98 (s, 3xOCOCH3), 2.01 (s, 3xOCOCH3), 2.03 (s, 3xOCOCH3), 2.09 (s, OCOCH3); (in C5D5N): 0.97 (s, CH3), 1.02 (s, CH3), 1.14 (s, CH3), 1.25 (s, CH3), 1.29 (s, CH3), 1.42 (s, CH3), 1.68 (3xH-26 and 3xH-27) |
1) S. Shibata et al., Tetrahedron, 27, 881 (1971)., 2) O. Tanaka et al., Chem.Pharm.Bull., 27, 88 (1979).