Notoginsenoside R4
From Metabolomics.JP
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(New page: {{Hierarchy|{{PAGENAME}}}} {{Metabolite |SysName=beta-D-glucopyranoside, (3beta,12beta)-12-Hydroxy-20-((O-beta-D-xylopyranosyl-(1-6)-O-beta-D-glucopyranosyl-(1-6)-beta-D-glucopyranosyl)ox...) |
Latest revision as of 13:13, 16 February 2010
Upper classes
IDs and Links | |
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LipidBank | [1] |
LipidMaps | [2] |
CAS | 87741-77-3 |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | Notoginsenoside R4.mol |
Notoginsenoside R4 | |
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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 |
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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(C |
Physicochemical Information | |
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Optical Rotation | |
Reflactive Index | |
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Spectral Information | |
Mass Spectra | |
UV Spectra | |
IR Spectra | |
NMR Spectra | |
Chromatograms |
[edit] 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).