6''-Malonoylginsenoside Rb1

Upper classes

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	88140-34-5
KEGG	{{{KEGG}}}
KNApSAcK	[3]
CDX file
MOL file	6''-Malonoylginsenoside Rb1.mol

Malonyl-ginsenoside Rb1
Structural Information
Systematic Name	(3beta,12beta)-20-[(6-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-[6-O-(carboxyacetyl)-beta-D-glucopyranosyl]-beta-D-glucopyranoside
Common Name	Malonyl-ginsenoside Rb1 Ginsenoside mRb1 MG-Rb1
Symbol
Formula
Exact Mass
Average Mass
SMILES
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

Free acid

M.P.	150 - 152 °C
IR (KBr)	3489 (br, OH), 2925, 1730, 1628, 1380 (ester), 1071 cm-1

Methyl ester

M.P.	178 - 182 °C
IR (KBr)	3402 (br, OH), 2926, 1737, 1627, 1072 cm-1
1H-NMR (C5D5N)	0.87 (s, CH3), 0.98 (s, 3xCH3), 1.15 (s, CH3), 1.34 (s, CH3), 1.61 (s, 3xH-26), 1.67 (s, 3xH-27), 3.63 (s, COOCH3), 3.69 (s, OC-CH2-CO)
13C-NMR (C5D5N, 22.5MHz)	C-3) 89.3, (12) 70.2, (20) 83.5 Glc I (1) 105.3, (2) 84.2, (3) 77.9, (4) 71.7, (5) 78.3, (6) 62.8 Glc II (1) 106.1, (2) 77.0, (3) 79.1, (4) 71.0, (5) 75.2, (6) 65.6 Glc III (1) 98.1, (2) 74.9, (3) 78.3, (4) 71.7, (5) 76.6, (6) 71.6 Glc IV (1) 104.9, (2) 74.9, (3) 78.3, (4) 71.7, (5) 78.3, (6) 62.8 Malonoyl (1) 167.1, (2) 41.6, (3) 167.1, (OCH3) 52.2

Y. Nakagawa et al., Chem.Pharm.Bull., 37, 2961 (1989).