Ginsenoside Rg1

From Metabolomics.JP
(Difference between revisions)
Jump to: navigation, search
 
Line 7: Line 7:
 
|KNApSAcK=
 
|KNApSAcK=
 
}}
 
}}
 +
 +
 +
==Spectroscopic Data==
 +
 +
{| class="wikitable" style="width:80%"
 +
'''Free alcohol'''
 +
|-
 +
| '''M.P.'''<sup>1</sup> || 194 – 196.5 °C
 +
|-
 +
| '''IR''' (KBr)<sup>1</sup>|| 3380 (OH), 1620 (C=C) cm<sup>-1</sup>
 +
|-
 +
| '''<sup>13</sup>C-NMR''' (C<sub>5</sub>D<sub>5</sub>, 25.15MHz)<sup>2</sup>|| C-1) 39.5, (2) 27.6, (3) 78.6, (4) 40.1, (5) 61.3, (6) 77.8, (7) 44.9, (8) 41.0, (9) 49.9, (10) 39.5, (11) 30.8, (12) 70.3, (13) 48.9, (14) 51.3, (15) 30.6, (16) 26.4, (17) 51.6, (18) 17.4, (19) 17.4, (20) 83.3, (21) 22.3, (22) 35.9, (23) 23.2, (24) 125.8, (25) 130.9, (26) 25.7, (27) 17.7, (28) 31.6, (29) 16.2, (30) 17.0 '''Glc I''' (1) 105.7, (2) 75.3, (3) 80.0, (4) 71.6, (5) 79.3, (6) 62.9 '''Glc II''' (1) 98.1, (2) 74.9, (3) 78.8, (4) 71.3, (5) 77.8, (6) 62.6 
 +
|}
 +
{| class="wikitable" style="width:80%"
 +
'''Deca-O-acetate'''
 +
|-
 +
| '''M.P.'''<sup>1</sup> || 242 - 243 °C
 +
|-
 +
| '''<sup>1</sup>H-NMR''' (CDCl<sub>3</sub>N, 100 MHz)<sup>1</sup>|| 0.96 (s, 3xCH<sub>3</sub>), 1.03 (s, CH<sub>3</sub>), 1.05 (s, CH<sub>3</sub>), 1.18 (s, CH<sub>3</sub>), 1.59 and 1.65 (each s, 3xH-26 and 3xH-27), 1.96 (s, OCOCH<sub>3</sub>), 1.98 (s, 3xOCOCH<sub>3</sub>), 2.01 (s, 3xOCOCH<sub>3</sub>), 2.03 (s, 3xOCOCH<sub>3</sub>), 2.09 (s, OCOCH<sub>3</sub>); (in C<sub>5</sub>D<sub>5</sub>N): 0.97 (s, CH<sub>3</sub>), 1.02 (s, CH<sub>3</sub>), 1.14 (s, CH<sub>3</sub>), 1.25 (s, CH<sub>3</sub>), 1.29 (s, CH<sub>3</sub>), 1.42 (s, CH<sub>3</sub>), 1.68 (3xH-26 and 3xH-27)
 +
|}
 +
<small>1) S. Shibata et al., Tetrahedron, 27, 881 (1971)., 2) O. Tanaka et al., Chem.Pharm.Bull., 27, 88 (1979).</small>

Latest revision as of 11:05, 16 February 2010



Upper classes



IDs and Links
LipidBank [1]
LipidMaps [2]
CAS 22427-39-0
KEGG {{{KEGG}}}
KNApSAcK

[3]

CDX file
MOL file Ginsenoside Rg1.mol
Ginsenoside Rg1
Ginsenoside Rg1.png
Structural Information
Systematic Name (3beta,6alpha,12beta)-3,12-Dihydroxydammar-24-ene-6,20-diyl bis-beta-D-glucopyranoside
Common Name
  • Ginsenoside Rg1
  • Panaxoside A
  • Dammarane beta-D-glucopyranoside deriv.
  • Ginsenoside A2
  • Ginsenoside g1
  • Panaxoside Rg1
  • Sanchinoside C1
  • Sanchinoside Rg1
Symbol
Formula C42H72O14
Exact Mass 800.492207012
Average Mass 801.01268
SMILES C(C6)(C32C)([H])C(C(C)(C4(C(O)6)[H])CCC(C(OC(C(O)5)OC(CO)C(C5O)O)(C)CCC=C(C)C)([H])4)(CC(C2(C(C(CC3)O)(C)C)[H])OC([H])(O1)C(C(O)C(O)C(CO)1)O)C
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

Free alcohol
M.P.1 194 – 196.5 °C
IR (KBr)1 3380 (OH), 1620 (C=C) cm-1
13C-NMR (C5D5, 25.15MHz)2 C-1) 39.5, (2) 27.6, (3) 78.6, (4) 40.1, (5) 61.3, (6) 77.8, (7) 44.9, (8) 41.0, (9) 49.9, (10) 39.5, (11) 30.8, (12) 70.3, (13) 48.9, (14) 51.3, (15) 30.6, (16) 26.4, (17) 51.6, (18) 17.4, (19) 17.4, (20) 83.3, (21) 22.3, (22) 35.9, (23) 23.2, (24) 125.8, (25) 130.9, (26) 25.7, (27) 17.7, (28) 31.6, (29) 16.2, (30) 17.0 Glc I (1) 105.7, (2) 75.3, (3) 80.0, (4) 71.6, (5) 79.3, (6) 62.9 Glc II (1) 98.1, (2) 74.9, (3) 78.8, (4) 71.3, (5) 77.8, (6) 62.6
Deca-O-acetate
M.P.1 242 - 243 °C
1H-NMR (CDCl3N, 100 MHz)1 0.96 (s, 3xCH3), 1.03 (s, CH3), 1.05 (s, CH3), 1.18 (s, CH3), 1.59 and 1.65 (each s, 3xH-26 and 3xH-27), 1.96 (s, OCOCH3), 1.98 (s, 3xOCOCH3), 2.01 (s, 3xOCOCH3), 2.03 (s, 3xOCOCH3), 2.09 (s, OCOCH3); (in C5D5N): 0.97 (s, CH3), 1.02 (s, CH3), 1.14 (s, CH3), 1.25 (s, CH3), 1.29 (s, CH3), 1.42 (s, CH3), 1.68 (3xH-26 and 3xH-27)

1) S. Shibata et al., Tetrahedron, 27, 881 (1971)., 2) O. Tanaka et al., Chem.Pharm.Bull., 27, 88 (1979).

Retrieved from "http://metabolomics.jp/mediawiki/index.php?title=Ginsenoside_Rg1&oldid=106086"
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox