Panax saponin 1

Upper classes

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	80952-74-5
KEGG	{{{KEGG}}}
KNApSAcK	[3]
CDX file
MOL file	Panax saponin 1.mol

Ginsenoside Rf2
Structural Information
Systematic Name	(3beta,6alpha,12beta,20R)-3,12,20,25-Tetrahydroxydammaran-6-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Common Name	Ginsenoside Rf2
Symbol
Formula	C42H74O14
Exact Mass	802.507857076
Average Mass	803.02856
SMILES	C(C2OC(C3)C(C(C)(C)6)C(C)(CCC(O)6)C(C5)C(C)3C(C(C(O)5)4)(C)CCC4C(CCCC(C)(C)O)(C)O)(C(O)C(C(CO)O2)O)OC(O1)C(C(C(C1C)O)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.	176 – 179 °C
IR (KBr)	3400 (OH), 2960, 2930, 2870 (CH3, CH2), 1465, 1390, 1370 (CH3, CH2-CH-CH3), 1135, 1065, 1045, 1025 (C-O), 890 cm-1
1H-NMR (DMSO)	0.82 (s, CH3), 0.85 (s, CH3), 0.87 (s, CH3), 0.99 (s, CH3), 1.06 (s, CH3), 1.08 (s, CH3), 1.10 (s, CH3), 1.22 (s, CH3), 4.78 (d, J=7.0 Hz, H-1 of Glc), 5.14 (s, H-1 of Rha)
13C-NMR (C5D5N)	C-1) 38.8, (2) 26.5, (3) 77.8, (4) 38.8, (5) 60.0, (6) 73.9, (7) 44.4, (8) 40.2, (9) 48.9, (10) 38.5, (11) 30.9, (12) 70.0, (13) 47.3, (14) 50.7, (15) 30.4, (16) 25.6, (17) 49.5, (18) 16.5, (19) 16.1, (20) 72.4, (21) 21.8, (22) 42.9, (23) 17.3, (24) 44.8, (25) 68.3, (26) 28.6, (27) 28.7, (28) 30.4, (29) 16.1, (30) 16.1 Glc (1) 100.3, (2) 78.1, (3) 76.7, (4) 71.7, (5) 77.5, (6) 62.3 Rha (1) 100.6, (2) 71.1, (3) 71.1, (4) 73.0, (5) 68.3, (6) 17.3

X. Li et al., Yaoxue Xuebao, 25, 297 (1990).