Ginsenoside Rb3
From Metabolomics.JP
Upper classes
IDs and Links | |
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LipidBank | [1] |
LipidMaps | [2] |
CAS | 68406-26-8 |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | Ginsenoside Rb3.mol |
Ginsenoside Rb3 | |
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Structural Information | |
Systematic Name | (3beta,12beta)-3-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-20-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside |
Common Name |
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Symbol | |
Formula | C53H90O22 |
Exact Mass | 1078.592374564 |
Average Mass | 1079.2685000000001 |
SMILES | CC(C)(C1OC(O7)C(OC(C8O)OC(CO)C(C8O)O)C(C(C7CO)O)O) |
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 | 193 - 195 °C |
IR (KBr)3 | 3375, 1640, 1160, 1075, 1040, 1015, 980 cm-1 |
1H-NMR (C5D5N, 100 MHz)3 | 0.83 (s, CH3), 0.97 (s, 2xCH3), 1.07 (s, CH3), 1.25 (s, CH3), 1.63 (s, CH3), 1.66 (s, 2xCH3), 4.83, 4.89, 5.04 (each d, J=7.0 Hz, 3 x anomeric H), 5.25 (m, H-12) |
13C-NMR (C5D5N, 25.15MHz)2 | C-1) 39.5, (2) 26.9, (3) 89.3, (4) 39.9, (5) 56.7, (6) 18.7, (7) 35.4, (8) 40.3, (9) 50.4, (10) 37.1, (11) 31.0, (12) 30.4, (13) 49.7, (14) 51.6, (15) 31.0, (16) 26.9, (17) 51.9, (18) 16.2, (19) 16.4, (20) 83.7, (21) 22.5, (22) 36.4, (23) 23.3, (24) 126.1, (25) 131.1, (26) 25.9, (27) 18.1, (28) 28.3, (29) 16.7, (30) 17.6 Glc I (1) 105.1, (2) 83.7, (3) 78.1, (4) 72.0, (5) 78.1, (6) 63.1 Glc II (1) 106.0, (2) 77.0, (3) 78.5, (4) 72.0, (5) 78.1, (6) 63.1 Glc III (1) 98.2, (2) 75.0, (3) 79.2, (4) 72.0, (5) 76.9, (6) 70.1 Xyl (1) 105.6, (2) 74.7, (3) 77.8, (4) 71.1, (5) 66.8 |
1) J. Shoji et al., Chem.Pharm.Bull., 26, 1694 (1978)., 2) K. Yoshikawa et al., Yakugaku Zasshi, 106, 664 (1986)., 3) M. Okuhira et al., Yakugaku Zasshi, 103, 173 (1983).