Ginsenoside Rc
From Metabolomics.JP
(Difference between revisions)
(New page: {{Hierarchy|{{PAGENAME}}}} {{Metabolite |SysName=(3.beta.,12.beta.)-20-[(6-O-.alpha.-L-Arabinofuranosyl-.beta.-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-.beta.-D-glucopyranosy...) |
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{{Metabolite | {{Metabolite | ||
− | |SysName=( | + | |SysName=(3beta,12beta)-20-[(6-O-alpha-L-Arabinofuranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside |
− | |Common Name=&&Ginsenoside Rc&& | + | |Common Name=&&Ginsenoside Rc&&dammarane beta-D-Glucopyranoside deriv.&&Panaxoside Rc&& |
|CAS=11021-14-0 | |CAS=11021-14-0 | ||
|KNApSAcK= | |KNApSAcK= | ||
}} | }} | ||
+ | |||
+ | |||
+ | ==Spectroscopic Data== | ||
+ | |||
+ | {| class="wikitable" style="width:80%" | ||
+ | '''Free acid''' | ||
+ | |- | ||
+ | | '''M.P.'''<sup>1</sup> || 199 - 201 °C | ||
+ | |- | ||
+ | | '''IR''' (KBr)<sup>1</sup>|| 3400 (OH), 1620 (C=C) cm<sup>-1</sup> | ||
+ | |- | ||
+ | | '''<sup>13</sup>C-NMR''' (C<sub>5</sub>D<sub>5</sub>N, 25.15MHz)<sup>2</sup>|| C-1) 39.0, (2) 26.6, (3) 89.0, (4) 39.6, (5) 56.3, (6) 18.3, (7) 35.1, (8) 39.9, (9) 50.1, (10) 36.8, (11) 30.7, (12) 70.2, (13) 49.5, (14) 51.4, (15) 30.8, (16) 26.6, (17) 51.6, (18) 16.2, (19) 15.9, (20) 83.1, (21) 22.2, (22) 36.0, (23) 23.1, (24) 125.9, (25) 130.9, (26) 25.7, (27) 17.8, (28) 28.0, (29) 16.5, (30) 17.3 '''Glc I''' (1) 104.9, (2) 83.1, (3) 77.8, (4) 71.5, (5) 77.8, (6) 62.6 '''Glc II''' (1) 105.6, (2) 76.8, (3) 78.7, (4) 71.5, (5) 78.0, (6) 62.6 Glc III (1) 97.9, (2) 74.9, (3) 78.0, (4) 71.5, (5) 76.3, (6) 68.3 '''Ara(f)''' (1) 109.9, (2) 83.3, (3) 78.9, (4) 85.8, (5) 62.6 | ||
+ | |} | ||
+ | {| class="wikitable" style="width:80%" | ||
+ | '''Permethyl ester''' | ||
+ | |- | ||
+ | | '''<sup>1</sup>H-NMR''' (C<sub>5</sub>D<sub>5</sub>N, 100 MHz)<sup>1</sup>|| 0.80-1.00 (5xCH<sub>3</sub>), 1.29 (s, CH<sub>3</sub>), 1.59 (s, CH<sub>3</sub>), 1.67 (s, CH<sub>3</sub>), 3.31-3.61 (13xOCH<sub>3</sub>), 4.23 (d, ''J''=8.0 Hz, anomeric H), 4.47, 4.67 (each d, ''J''=7.0 Hz, 2 x anomeric H), 5.00 (s, H-5 of Ara(f)) | ||
+ | |} | ||
+ | <small>1) S. Shibata et al., Chem.Pharm.Bull., 22, 421 (1974)., 2) T. Fuwa et al., Chem.Pharm.Bull., 31, 2120 (1983).</small> |
Latest revision as of 10:39, 16 February 2010
Upper classes
IDs and Links | |
---|---|
LipidBank | [1] |
LipidMaps | [2] |
CAS | 11021-14-0 |
KEGG | {{{KEGG}}} |
KNApSAcK | |
CDX file | |
MOL file | Ginsenoside Rc.mol |
Ginsenoside Rc | |
---|---|
![]() | |
Structural Information | |
Systematic Name | (3beta,12beta)-20-[(6-O-alpha-L-Arabinofuranosyl-beta-D-glucopyranosyl)oxy]-12-hydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside |
Common Name |
|
Symbol | |
Formula | C53H90O22 |
Exact Mass | 1078.592374564 |
Average Mass | 1079.2685000000001 |
SMILES | C(C8)(C(C(C)3C(C([H])78)(CCC(C74C)([H])C(C)(C)C(OC |
Physicochemical Information | |
Melting Point | |
Boiling Point | |
Density | |
Optical Rotation | |
Reflactive Index | |
Solubility | |
Spectral Information | |
Mass Spectra | |
UV Spectra | |
IR Spectra | |
NMR Spectra | |
Chromatograms |
[edit] Spectroscopic Data
M.P.1 | 199 - 201 °C |
IR (KBr)1 | 3400 (OH), 1620 (C=C) cm-1 |
13C-NMR (C5D5N, 25.15MHz)2 | C-1) 39.0, (2) 26.6, (3) 89.0, (4) 39.6, (5) 56.3, (6) 18.3, (7) 35.1, (8) 39.9, (9) 50.1, (10) 36.8, (11) 30.7, (12) 70.2, (13) 49.5, (14) 51.4, (15) 30.8, (16) 26.6, (17) 51.6, (18) 16.2, (19) 15.9, (20) 83.1, (21) 22.2, (22) 36.0, (23) 23.1, (24) 125.9, (25) 130.9, (26) 25.7, (27) 17.8, (28) 28.0, (29) 16.5, (30) 17.3 Glc I (1) 104.9, (2) 83.1, (3) 77.8, (4) 71.5, (5) 77.8, (6) 62.6 Glc II (1) 105.6, (2) 76.8, (3) 78.7, (4) 71.5, (5) 78.0, (6) 62.6 Glc III (1) 97.9, (2) 74.9, (3) 78.0, (4) 71.5, (5) 76.3, (6) 68.3 Ara(f) (1) 109.9, (2) 83.3, (3) 78.9, (4) 85.8, (5) 62.6 |
1H-NMR (C5D5N, 100 MHz)1 | 0.80-1.00 (5xCH3), 1.29 (s, CH3), 1.59 (s, CH3), 1.67 (s, CH3), 3.31-3.61 (13xOCH3), 4.23 (d, J=8.0 Hz, anomeric H), 4.47, 4.67 (each d, J=7.0 Hz, 2 x anomeric H), 5.00 (s, H-5 of Ara(f)) |
1) S. Shibata et al., Chem.Pharm.Bull., 22, 421 (1974)., 2) T. Fuwa et al., Chem.Pharm.Bull., 31, 2120 (1983).