Ginsenoside Rb3

Upper classes

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	68406-26-8
KEGG	{{{KEGG}}}
KNApSAcK	[3]
CDX file
MOL file	Ginsenoside Rb3.mol

Ginsenoside Rb3
Structural Information
Systematic Name	(3beta,12beta)-3-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-20-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranoside
Common Name	Ginsenoside Rb3 Gypenoside IV Dammarane beta-D-glucopyranoside deriv.
Symbol
Formula	C53H90O22
Exact Mass	1078.592374564
Average Mass	1079.2685000000001
SMILES	CC(C)(C1OC(O7)C(OC(C8O)OC(CO)C(C8O)O)C(C(C7CO)O)O)C(C2)C(C(C6)C(C(C(C6O)3)(CCC3C(CCC=C(C)C)(C)OC(O4)C(C(C(C4COC(O5)C(C(O)C(O)C5)O)O)O)O)C)(C)C2)(C)CC1
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.1	193 - 195 °C
IR (KBr)3	3375, 1640, 1160, 1075, 1040, 1015, 980 cm-1
1H-NMR (C5D5N, 100 MHz)3	0.83 (s, CH3), 0.97 (s, 2xCH3), 1.07 (s, CH3), 1.25 (s, CH3), 1.63 (s, CH3), 1.66 (s, 2xCH3), 4.83, 4.89, 5.04 (each d, J=7.0 Hz, 3 x anomeric H), 5.25 (m, H-12)
13C-NMR (C5D5N, 25.15MHz)2	C-1) 39.5, (2) 26.9, (3) 89.3, (4) 39.9, (5) 56.7, (6) 18.7, (7) 35.4, (8) 40.3, (9) 50.4, (10) 37.1, (11) 31.0, (12) 30.4, (13) 49.7, (14) 51.6, (15) 31.0, (16) 26.9, (17) 51.9, (18) 16.2, (19) 16.4, (20) 83.7, (21) 22.5, (22) 36.4, (23) 23.3, (24) 126.1, (25) 131.1, (26) 25.9, (27) 18.1, (28) 28.3, (29) 16.7, (30) 17.6 Glc I (1) 105.1, (2) 83.7, (3) 78.1, (4) 72.0, (5) 78.1, (6) 63.1 Glc II (1) 106.0, (2) 77.0, (3) 78.5, (4) 72.0, (5) 78.1, (6) 63.1 Glc III (1) 98.2, (2) 75.0, (3) 79.2, (4) 72.0, (5) 76.9, (6) 70.1 Xyl (1) 105.6, (2) 74.7, (3) 77.8, (4) 71.1, (5) 66.8

1) J. Shoji et al., Chem.Pharm.Bull., 26, 1694 (1978)., 2) K. Yoshikawa et al., Yakugaku Zasshi, 106, 664 (1986)., 3) M. Okuhira et al., Yakugaku Zasshi, 103, 173 (1983).