Notoginsenoside R4

Upper classes

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	87741-77-3
KEGG	{{{KEGG}}}
KNApSAcK	[3]
CDX file
MOL file	Notoginsenoside R4.mol

Notoginsenoside R4
Structural Information
Systematic Name	beta-D-glucopyranoside, (3beta,12beta)-12-Hydroxy-20-((O-beta-D-xylopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl)oxy)dammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-
Common Name	Notoginsenoside R4
Symbol
Formula	C59H100O27
Exact Mass	1240.645197994
Average Mass	1241.4090999999999
SMILES	OC(C(O)7)C(C(OC7COC(C(O)9)OC(C(C9O)O)COC(C8O)OCC(C8O)O)OC(CCC=C(C)C)(C)C(C61)CCC(C)1C(C(CC(O)6)5)(C)CCC(C(C)45)C(C(CC4)OC(C2OC(O3)C(C(C(O)C(CO)3)O)O)OC(CO)C(O)C2O)(C)C)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

13C-NMR (C5D5N, 25.15MHz)

C-1) 39.0, (2) 26.6, (3) 89.2, (4) 39.5, (5) 56.3, (6) 18.4, (7) 35.1, (8) 39.9, (9) 50.0, (10) 36.7, (11) 30.6, (12) 70.0, (13) 49.2, (14) 51.3, (15) 30.6, (16) 26.6, (17) 51.3, (18) 16.1, (19) 15.9, (20) 83.5, (21) 22.3, (22) 36.1, (23) 22.8, (24) 125.7, (25) 130.9, (26) 25.7, (27) 17.8, (28) 27.9, (29) 16.5, (30) 17.3 Glc I (1) 105.0, (2) 82.6, (3) 77.7, (4) 71.4, (5) 77.7, (6) 62.76 Glc II (1) 105.2, (2) 76.5, (3) 78.6, (4) 71.4, (5) 77.7, (6) 62.6 Glc III (1) 97.8, (2) 74.7, (3) 77.7, (4) 71.4, (5) 76.5, (6) 71.2 Glc IV (1) 105.0, (2) 74.7, (3) 77.7, (4) 71.4, (5) 76.5, (6) 69.6 Xyl (1) 105.2, (2) 74.7, (3) 77.7, (4) 71.0, (5) 66.7

J. Zhou et al., Chem.Pharm.Bull., 31, 2281 (1983).