Licoricesaponin B2

Upper classes

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	118536-86-0
KEGG	{{{KEGG}}}
KNApSAcK	[3]
CDX file
MOL file	Licoricesaponin B2.mol

Licoricesaponin B2
Structural Information
Systematic Name	(3beta,20beta)-20-Carboxy-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid
Common Name	Licoricesaponin B2 Saponin B2 from licorice
Symbol
Formula	C42H64O15
Exact Mass	808.424521378
Average Mass	808.9485599999999
SMILES	C(C1O)(C(O)=O)OC(OC(C7O)C(OC(C(O)=O)C(O)7)OC(C6)C(C)(C)C(C(C6)5C)CCC(C45)(C(C3)(C(=CC4)C(C2)C(C)(C3)CCC2(C(O)=O)C)C)C)C(C1O)O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

NMR Data

¹H-NMR Licoricesaponin B2 Methyl ester / pyridine-d₅

¹³C-NMR Licoricesaponin B2 Methyl ester / pyridine-d₅

Spectroscopic Data

Free acid

M.P.	209 - 210 °C
IR (KBr)	3400, 2950, 1720 cm-1

Trimethyl ester

M.P.	169 - 172 °C
IR (KBr)	3350, 2915, 1720 cm-1
13C-NMR (C5D5N, 22.5MHz)	C-3) 89.5, (11) 47.8, (12) 122.9, (13) 144.7, (14) 135.8, (18) 48.6, (22) 38.7, (30) 177.3 GlcUA I (1) 105.0, (2) 84.4, (3) 76.3, (4) 72.6, (5) 77.4, (6) 170.1 GlcUA II (1)106.8, (2) 76.4, (3) 77.6, (4) 72.9, (5) 76.7, (6) 170.3

M. Yoshikawa et al., Chem.Pharm.Bull., 36, 3710 (1988).