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Licoricesaponin D3 - Revision history
2026-08-14T01:58:54Z
Revision history for this page on the wiki
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Toyama at 03:17, 9 February 2010
2010-02-09T03:17:56Z
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<td colspan='2' style="background-color: white; color:black;">← Older revision</td>
<td colspan='2' style="background-color: white; color:black;">Revision as of 03:17, 9 February 2010</td>
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<tr><td class='diff-marker'> </td><td style="background: #eee; color:black; font-size: smaller;"><div>| '''IR''' (KBr)|| 3700-3200 (br, OH), 2940, 1730 (ester), 1712 (COOH), 1410, 1065 cm<sup>-1</sup></div></td><td class='diff-marker'> </td><td style="background: #eee; color:black; font-size: smaller;"><div>| '''IR''' (KBr)|| 3700-3200 (br, OH), 2940, 1730 (ester), 1712 (COOH), 1410, 1065 cm<sup>-1</sup></div></td></tr>
<tr><td class='diff-marker'> </td><td style="background: #eee; color:black; font-size: smaller;"><div>|-</div></td><td class='diff-marker'> </td><td style="background: #eee; color:black; font-size: smaller;"><div>|-</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>| '''<sup>1</sup>H-NMR''' (C<sub>5</sub>D<sub>5</sub>N-D<sub>2</sub>O, 500 MHz)|| 0.89 (s, <del class="diffchange diffchange-inline">CH3</del>), 0.91 (s, <del class="diffchange diffchange-inline">CH3</del>), 0.99 (s, <del class="diffchange diffchange-inline">CH3</del>), 1.13 (s, <del class="diffchange diffchange-inline">CH3</del>), 1.21 (s, <del class="diffchange diffchange-inline">CH3</del>), 1.28 (s, <del class="diffchange diffchange-inline">CH3</del>), 1.38 (s, <del class="diffchange diffchange-inline">CH3</del>), 1.79 (d, ''J''=5.7 Hz, 3xH-6 of Rha), 2.16 (s, <del class="diffchange diffchange-inline">OCOCH3</del>), 3.28 (dd, ''J''=4.2, 11.0 Hz, H-3alpha), 4.59 (dd, ''J''=2.6, 3.4 Hz, H-22), 5.02 (d, ''J''=7.4 Hz, H-1 of GlcUA I), 5.34 (d, ''J''=7.6 Hz, H-1 of GlcUA II), 5.44 (brs, H-12), 6.30 (brs, H-1 of Rha)</div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>| '''<sup>1</sup>H-NMR''' (C<sub>5</sub>D<sub>5</sub>N-D<sub>2</sub>O, 500 MHz)|| 0.89 (s, <ins class="diffchange diffchange-inline">CH<sub>3</sub></ins>), 0.91 (s, <ins class="diffchange diffchange-inline">CH<sub>3</sub></ins>), 0.99 (s, <ins class="diffchange diffchange-inline">CH<sub>3</sub></ins>), 1.13 (s, <ins class="diffchange diffchange-inline">CH<sub>3</sub></ins>), 1.21 (s, <ins class="diffchange diffchange-inline">CH<sub>3</sub></ins>), 1.28 (s, <ins class="diffchange diffchange-inline">CH<sub>3</sub></ins>), 1.38 (s, <ins class="diffchange diffchange-inline">CH<sub>3</sub></ins>), 1.79 (d, ''J''=5.7 Hz, 3xH-6 of Rha), 2.16 (s, <ins class="diffchange diffchange-inline">OCOCH<sub>3</sub></ins>), 3.28 (dd, ''J''=4.2, 11.0 Hz, H-3alpha), 4.59 (dd, ''J''=2.6, 3.4 Hz, H-22), 5.02 (d, ''J''=7.4 Hz, H-1 of GlcUA I), 5.34 (d, ''J''=7.6 Hz, H-1 of GlcUA II), 5.44 (brs, H-12), 6.30 (brs, H-1 of Rha)</div></td></tr>
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<tr><td class='diff-marker'> </td><td style="background: #eee; color:black; font-size: smaller;"><div>| '''M.P.''' || 221 - 223 °C  </div></td><td class='diff-marker'> </td><td style="background: #eee; color:black; font-size: smaller;"><div>| '''M.P.''' || 221 - 223 °C  </div></td></tr>
<tr><td class='diff-marker'> </td><td style="background: #eee; color:black; font-size: smaller;"><div>|-</div></td><td class='diff-marker'> </td><td style="background: #eee; color:black; font-size: smaller;"><div>|-</div></td></tr>
<tr><td class='diff-marker'>−</td><td style="background: #ffa; color:black; font-size: smaller;"><div>| '''<sup>13</sup>C-NMR''' (C<sub>5</sub>D<sub>5</sub>N, 22.5MHz)|| C-3) 89.9, (11) 23.6, (12) 122.2, (13) 143.6, (18) 44.0, (22) 77.5, (24) 16.4, (29) 29.1, (30) 177.2, (<del class="diffchange diffchange-inline">OCOCH3</del>) 21.8, (<del class="diffchange diffchange-inline">OCOCH3</del>) 170.1, (<del class="diffchange diffchange-inline">COOCH3</del>) 51.2, 51.2, 51.6 '''GlcUA I''' (1) 104.7, (2) 79.1, (3) 76.2, (4) 72.2, (5) 77.9, (6) 169.6 '''GlcUA II''' (1)102.4, (2) 78.2, (3) 76.7, (4) 72.9, (5) 77.5, (6) 169.8 '''Rha''' (1) 101.6, (2) 71.9, (3) 72.9, (4) 73.9, (5) 69.2, (6) 18.5   </div></td><td class='diff-marker'>+</td><td style="background: #cfc; color:black; font-size: smaller;"><div>| '''<sup>13</sup>C-NMR''' (C<sub>5</sub>D<sub>5</sub>N, 22.5MHz)|| C-3) 89.9, (11) 23.6, (12) 122.2, (13) 143.6, (18) 44.0, (22) 77.5, (24) 16.4, (29) 29.1, (30) 177.2, (<ins class="diffchange diffchange-inline">OCOCH<sub>3</sub></ins>) 21.8, (<ins class="diffchange diffchange-inline">OCOCH<sub>3</sub></ins>) 170.1, (<ins class="diffchange diffchange-inline">COOCH<sub>3</sub></ins>) 51.2, 51.2, 51.6 '''GlcUA I''' (1) 104.7, (2) 79.1, (3) 76.2, (4) 72.2, (5) 77.9, (6) 169.6 '''GlcUA II''' (1)102.4, (2) 78.2, (3) 76.7, (4) 72.9, (5) 77.5, (6) 169.8 '''Rha''' (1) 101.6, (2) 71.9, (3) 72.9, (4) 73.9, (5) 69.2, (6) 18.5   </div></td></tr>
<tr><td class='diff-marker'> </td><td style="background: #eee; color:black; font-size: smaller;"><div>|}</div></td><td class='diff-marker'> </td><td style="background: #eee; color:black; font-size: smaller;"><div>|}</div></td></tr>
<tr><td class='diff-marker'> </td><td style="background: #eee; color:black; font-size: smaller;"><div><small>M. Yoshikawa et al., Chem.Pharm.Bull., 41, 1337 (1993).</small></div></td><td class='diff-marker'> </td><td style="background: #eee; color:black; font-size: smaller;"><div><small>M. Yoshikawa et al., Chem.Pharm.Bull., 41, 1337 (1993).</small></div></td></tr>
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Toyama
http://metabolomics.jp/mediawiki/index.php?title=Licoricesaponin_D3&diff=107951&oldid=prev
Toyama: New page: {{Hierarchy|{{PAGENAME}}}} {{Metabolite |SysName=(3beta,20beta,22beta)-22-(Acetyloxy)-20-carboxy-30-norolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(12)-O-beta-D-glucopyranuronosyl-(...
2010-02-09T01:13:30Z
<p>New page: {{Hierarchy|{{PAGENAME}}}} {{Metabolite |SysName=(3beta,20beta,22beta)-22-(Acetyloxy)-20-carboxy-30-norolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(12)-O-beta-D-glucopyranuronosyl-(...</p>
<p><b>New page</b></p><div>{{Hierarchy|{{PAGENAME}}}}<br />
<br />
{{Metabolite<br />
|SysName=(3beta,20beta,22beta)-22-(Acetyloxy)-20-carboxy-30-norolean-12-en-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(12)-O-beta-D-glucopyranuronosyl-(12)-beta-D-glucopyranosiduronic acid <br />
|Common Name=&&Licoricesaponin D3&&30-Noroleanane beta-D-glucopyranosiduronic acid deriv.&&<br />
|CAS=118536-87-1<br />
|KNApSAcK=<br />
}}<br />
<br />
<br />
==Spectroscopic Data==<br />
<br />
{| class="wikitable" style="width:80%"<br />
<br />
'''Free acid'''<br />
|-<br />
| '''IR''' (KBr)|| 3700-3200 (br, OH), 2940, 1730 (ester), 1712 (COOH), 1410, 1065 cm<sup>-1</sup><br />
|-<br />
| '''<sup>1</sup>H-NMR''' (C<sub>5</sub>D<sub>5</sub>N-D<sub>2</sub>O, 500 MHz)|| 0.89 (s, CH3), 0.91 (s, CH3), 0.99 (s, CH3), 1.13 (s, CH3), 1.21 (s, CH3), 1.28 (s, CH3), 1.38 (s, CH3), 1.79 (d, ''J''=5.7 Hz, 3xH-6 of Rha), 2.16 (s, OCOCH3), 3.28 (dd, ''J''=4.2, 11.0 Hz, H-3alpha), 4.59 (dd, ''J''=2.6, 3.4 Hz, H-22), 5.02 (d, ''J''=7.4 Hz, H-1 of GlcUA I), 5.34 (d, ''J''=7.6 Hz, H-1 of GlcUA II), 5.44 (brs, H-12), 6.30 (brs, H-1 of Rha)<br />
|}<br />
{| class="wikitable" style="width:80%"<br />
'''Trimethyl ester'''<br />
|-<br />
| '''M.P.''' || 221 - 223 °C <br />
|-<br />
| '''<sup>13</sup>C-NMR''' (C<sub>5</sub>D<sub>5</sub>N, 22.5MHz)|| C-3) 89.9, (11) 23.6, (12) 122.2, (13) 143.6, (18) 44.0, (22) 77.5, (24) 16.4, (29) 29.1, (30) 177.2, (OCOCH3) 21.8, (OCOCH3) 170.1, (COOCH3) 51.2, 51.2, 51.6 '''GlcUA I''' (1) 104.7, (2) 79.1, (3) 76.2, (4) 72.2, (5) 77.9, (6) 169.6 '''GlcUA II''' (1)102.4, (2) 78.2, (3) 76.7, (4) 72.9, (5) 77.5, (6) 169.8 '''Rha''' (1) 101.6, (2) 71.9, (3) 72.9, (4) 73.9, (5) 69.2, (6) 18.5 <br />
|}<br />
<small>M. Yoshikawa et al., Chem.Pharm.Bull., 41, 1337 (1993).</small></div>
Toyama