Licoricesaponin C2

Upper classes

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	118525-49-8
KEGG	{{{KEGG}}}
KNApSAcK	[3]
CDX file
MOL file	Licoricesaponin C2.mol

Licoricesaponin C2
Structural Information
Systematic Name	(3beta,20beta)-20-Carboxy-30-noroleana-11,13(18)-dien-3-yl 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid
Common Name	Licoricesaponin C2 Saponin C2 from licorice 30-Noroleanane beta-D-glucopyranosiduronic acid deriv.
Symbol
Formula	C42H62O15
Exact Mass	806.408871314
Average Mass	806.93268
SMILES	C(O)(=O)C(C7)(CC(=C12)C(C)(C7)CCC(C)1C(C6)(C)C(C(C)(C(C6)3)CCC(OC(O4)C(OC(O5)C(C(C(C5C(O)=O)O)O)O)C(O)C(O)C4C(O)=O)C3(C)C)C=C2)C
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 C2 Methyl ester / pyridine-d₅

¹³C-NMR Licoricesaponin C2 Methyl ester / pyridine-d₅

Spectroscopic Data

Free acid

M.P.	249 - 251 °C
IR (KBr)	3400 (OH), 1710 (COOH), 1640 cm-1

Trimethyl ester

M.P.	174 - 176 °C
13C-NMR (C5D5N, 22.5MHz)	C-3) 89.5, (11) 125.5, (12) 126.7, (13) 135.8, (14) 135.8, (18) 39.9, (22) 178.4 GlcUA I (1) 104.8, (2) 84.3, (3) 76.5, (4) 72.4, (5) 77.2, (6) 169.8 GlcUA II (1)106.6, (2) 76.5, (3) 77.4, (4) 72.7, (5) 77.2, (6) 170.1

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