Licoricesaponin L3

Upper classes

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	156500-46-8
KEGG	{{{KEGG}}}
KNApSAcK	[3]
CDX file
MOL file	Licoricesaponin L3.mol

Licoricesaponin L3
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	Licoricesaponin L3 Saponin L3 from licorice 30-Noroleanane beta-D-glucopyranosiduronic acid deriv.
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)6C)CC=C(C(C)64)C(C5)C(C)(C(CC(C(O)=O)5C)OC(C)=O)CC4)C3)(CO)C)2)C(O)C(C(C(O)=O)O2)O)C(C)C(C(C1O)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.	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).