Astramembrannin II
From Metabolomics.JP
(Difference between revisions)
(New page: {{Hierarchy|{{PAGENAME}}}} {{Metabolite |SysName=(3beta,6alpha,16beta,24R)-20,24-Epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl-beta-D-xylopyranoside |Common Name=&&Astramembrannin II&&...) |
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{{Metabolite | {{Metabolite | ||
|SysName=(3beta,6alpha,16beta,24R)-20,24-Epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl-beta-D-xylopyranoside | |SysName=(3beta,6alpha,16beta,24R)-20,24-Epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl-beta-D-xylopyranoside | ||
| − | |Common Name=&&Astramembrannin II&&1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene | + | |Common Name=&&Astramembrannin II&&1H,19H-Cyclopropa[9,10]cyclopenta[a]phenanthrene beta-D-xylopyranoside deriv.&&9,19-Cyclolanostane beta-D-xylopyranoside deriv.&&Cyclosiversigenin 3-O-beta-D-xylopyranoside&& |
|CAS=83207-60-7 | |CAS=83207-60-7 | ||
|KNApSAcK= | |KNApSAcK= | ||
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| '''M.P.''' || 289 - 290 °C | | '''M.P.''' || 289 - 290 °C | ||
|- | |- | ||
| − | | '''<sup>1</sup>H-NMR''' | + | | '''<sup>1</sup>H-NMR''' (CDCl<sub>3</sub>+C<sub>5</sub>D<sub>5</sub>N)|| 0.33 (d, ''J''=4.0 Hz, H-19A), 0.51 (d, ''J''=4.0 Hz, H-19B), 0.96 (s, CH<sub>3</sub>), 1.14 (s, CH<sub>3</sub>), 1.23 (s, CH<sub>3</sub>), 1.26 (s, CH<sub>3</sub>), 1.35 (s, CH<sub>3</sub>), 3.25 (m, H-3alpha), 4.10 (m, H-5eq of Xyl), 4.57 (d, ''J''=7.5 Hz, H-1 of Xyl), 4.27 (m, H-16alpha) |
|- | |- | ||
| '''<sup>13</sup>C-NMR'''|| C-2) 30.4, (3) 88.7, (4) 42.7, (5) 54.0, (6) 68.1, (7) 38.7, (16) 73.5, (20) 87.2, (24) 81.7, (25) 71.3 '''Xyl''' (1) 107.7, (2) 75.6, (3) 78.5, (4) 71.3, (5) 67.0 | | '''<sup>13</sup>C-NMR'''|| C-2) 30.4, (3) 88.7, (4) 42.7, (5) 54.0, (6) 68.1, (7) 38.7, (16) 73.5, (20) 87.2, (24) 81.7, (25) 71.3 '''Xyl''' (1) 107.7, (2) 75.6, (3) 78.5, (4) 71.3, (5) 67.0 | ||
|} | |} | ||
<small>C. Yu Qun et al., Huaxue Xuebao, 43, 581 (1985).</small> | <small>C. Yu Qun et al., Huaxue Xuebao, 43, 581 (1985).</small> | ||
Latest revision as of 14:52, 4 March 2010
Upper classes
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 83207-60-7 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | Astramembrannin II.mol |
| Astramembrannin II | |
|---|---|
| |
| Structural Information | |
| Systematic Name | (3beta,6alpha,16beta,24R)-20,24-Epoxy-6,16,25-trihydroxy-9,19-cyclolanostan-3-yl-beta-D-xylopyranoside |
| Common Name |
|
| Symbol | |
| Formula | C35H58O8 |
| Exact Mass | 606.413168832 |
| Average Mass | 606.8302199999999 |
| SMILES | C(C5)C(C4C(C7)(C(C(C7O)C(O6)(C)CCC(C(C)(C)O)6)5C)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
| M.P. | 289 - 290 °C |
| 1H-NMR (CDCl3+C5D5N) | 0.33 (d, J=4.0 Hz, H-19A), 0.51 (d, J=4.0 Hz, H-19B), 0.96 (s, CH3), 1.14 (s, CH3), 1.23 (s, CH3), 1.26 (s, CH3), 1.35 (s, CH3), 3.25 (m, H-3alpha), 4.10 (m, H-5eq of Xyl), 4.57 (d, J=7.5 Hz, H-1 of Xyl), 4.27 (m, H-16alpha) |
| 13C-NMR | C-2) 30.4, (3) 88.7, (4) 42.7, (5) 54.0, (6) 68.1, (7) 38.7, (16) 73.5, (20) 87.2, (24) 81.7, (25) 71.3 Xyl (1) 107.7, (2) 75.6, (3) 78.5, (4) 71.3, (5) 67.0 |
C. Yu Qun et al., Huaxue Xuebao, 43, 581 (1985).
