Licoricesaponin L3
From Metabolomics.JP
Upper classes
IDs and Links | |
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LipidBank | [1] |
LipidMaps | [2] |
CAS | 156500-46-8 |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | Licoricesaponin L3.mol |
Licoricesaponin L3 | |
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Structural Information | |
Systematic Name | (3beta,4beta,20beta,22beta)-22-(Acetyloxy)-20-carboxy-23-hydroxy-30-norolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1-2)-O-alpha-L-arabinopyranosyl-(1-2)-beta-D-glucopyranosiduronic acid |
Common Name |
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Symbol | |
Formula | C49H76O20 |
Exact Mass | 984.4929948719999 |
Average Mass | 985.11574 |
SMILES | O(C1OC(C(O)8)C(OCC8O)OC(C(OC(C3)C(C(C7)C(C)(C(C(C7 |
Physicochemical Information | |
Melting Point | |
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Density | |
Optical Rotation | |
Reflactive Index | |
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Spectral Information | |
Mass Spectra | |
UV Spectra | |
IR Spectra | |
NMR Spectra | |
Chromatograms |
Spectroscopic Data
M.P. | 233 - 234 °C |
IR (KBr | 3650-3100 (br), 2912, 1704 (br), 1658, 1622, 1382, 1048 cm-1 |
1H-NMR (C5D5N+D2O, 500 MHz) | 0.92 (s, CH3), 0.93 (s, CH3), 0.99 (s, CH3), 1.32 (s, CH3), 1.33 (s, CH3), 1.44 (s, CH3), 1.74 (d, J=6.1 Hz, 3xH-6 of Rha), 2.02 (s, OCOCH3), 3.42 (dd, J=3.6, 12.0 Hz, H-3), 4.95 (d, J=7.6 Hz, H-1 of GlcUA), 5.52 (d, J=7.3 Hz, H-1 of Ara), 5.54 (brs, H-12), 6.15 (brs, H-1 of Rha) |
13C-NMR (C5D5N+D2O, 125MHz) | C-1) 38.7, (2) 26.3, (3) 91.0, (4) 44.0, (5) 56.1, (6) 18.8, (7) 32.9, (8) 40.1, (9) 47.7, (10) 36.2, (11) 24.0, (12) 124.7, (13) 144.1, (14) 41.9, (15) 26.6, (16) 27.8, (17) 37.5, (18) 44.2, (19) 40.8, (20) 29.8, (21) 41.7, (22) 78.1, (23) 22.9, (24) 63.4, (25) 15.7, (26)16.8, (27) 26.3, (28) 26.6, (29) 29.8, (30) 179.4 GlcUA (1) 105.4, (2) 78.1, (3) 75.8, (4) 72.6, (5) 77.6, (6) 172.2 Ara (1)102.2, (2) 78.1, (3) 76.7, (4) 70.7, (5) 66.8 Rha (1) 101.8, (2) 72.3, (3) 73.9, (4) 74.4, (5) 69.4, (6) 18.5 |
M. Yoshikawa et al., Chem.Pharm.Bull., 41, 1567 (1993).