Uralsaponin A

Upper classes

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	103000-77-7
KEGG	{{{KEGG}}}
KNApSAcK	[3]
CDX file
MOL file	Uralsaponin A.mol

Uralsaponin A
Structural Information
Systematic Name	(3beta,20beta)-20-Carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid
Common Name	Uralsaponin A Glycyrrhezinic acid Glycyrrhizin Glycyrrhizinic acid
Symbol
Formula	C42H62O16
Exact Mass	822.4037859360001
Average Mass	822.93208
SMILES	C(C7(C)2)(=CC(C(C7(C)6)C(C5CC6)(CCC(C5(C)C)OC(C(OC(O4)C(O)C(O)C(O)C4C(O)=O)3)OC(C(O)C3O)C(O)=O)C)=O)C(C1(CC2)C)CC(CC1)(C)C(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.	235 °C
IR (KBr	3430, 1735, 1645, 1375, 1045, 974 cm-1
1H-NMR (DMSO-d6, 400 MHz)	0.66 (s, CH3), 0.75 (s, CH3), 0.91 (s, CH3), 1.01 (s, CH3), 1.02 (s, CH3), 1.10 (s, CH3), 1.34 (s, CH3), 5.39 (s, H-12), 4.45 (d, J=7.71 Hz, anomeric H), 4.53 (d, J=7.61 Hz, anomeric H)
13C-NMR (DMSO-d6, 100 MHz)	C-2) 26.9, (3) 88.3, (4) 38.5, (11) 198.8, (12) 128.1, (13) 169.2, (30) 170.0 GlcUA I (1) 103.2, (2) 83.1, (3) 74.9, (4) 71.3, (5) 75.2, (6) 168.8 GlcUA II (1) 105.0, (2) 74.9, (3) 75.8, (4) 71.3, (5) 75.8, (6) 168.8

M.-T. Wang et al., Yaoxue Xuebao, 21, 510 (1986).