Spektraris NMR
Taxuyunnanine X
Common Name: Taxuyunnanine X
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O11/c1-14-17(32)13-29(26(3,4)36)20(14)21(34)23(38-25(35)16-10-8-7-9-11-16)27(5)19(37-15(2)31)12-18(33)30-22(27)24(29)39-28(6,40-30)41-30/h7-11,17-19,21-24,32-34,36H,12-13H2,1-6H3/t17-,18-,19?,21+,22-,23?,24-,27+,28?,29-,30-/m0/s1
InChIKey: MTRPYJHESYDKMK-VIEGOUIGSA-N
Formula: C31H40O11
Molecular Weight: 587.2492
Exact Mass: 587.243
NMR Solvent: CD3OD at 49 ppm for carbon NMR and 3.3 ppm for proton NMR
MHz: 500 (1H); 125 (13C)
Calibration:
NMR references: Sheng-Hong Li, Hong-Jie Zhang, Xue-Mei Niu, Ping Yao, Han-Dong Sun, Harry H.S Fong. Novel taxoids from the Chinese yew Taxus yunnanensis. Tetrahedron, Volume 59, Issue 1, 2003, Pages 37-45, ISSN 0040-4020. https://doi.org/10.1016/S0040-4020(02)01483-7.
Species: Taxus yunnanensis Cheng et L. K. Fu bark- collected in Lijiang Prefecture of Yunnan Province of China
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 5.16 | d | 10.8 |
| 3 | 2.78 | d | 10.8 |
| 5 | 3.8 | br | 2.2 |
| 6α | 1.91 | dt | 4.3, 13.5 |
| 6β | 1.59 | t | 12.9 |
| 7 | 5.59 | dd | 4.5, 12.3 |
| 9 | 5.07 | d | 5 |
| 10 | 4.92 | d | 5 |
| 13 | 4.32 | t | 7.3 |
| 14α | 2.19 | dd | 6.9, 14.7 |
| 14β | 2.04 | dd | 7.8, 14.7 |
| 16 | 1.4 | s | |
| 17 | 1 | s | |
| 18 | 1.37 | s | |
| 19 | 1.45 | s | |
| 20α | 4.56 | d | 7.8 |
| 20β | 3.41 | d | 7.8 |
| OBz-H-3' | 8.05 | d | 7.4 |
| OBz-H-4' | 7.45 | t | 7.7 |
| OBz-H-5' | 7.58 | t | 7.4 |
| CH3-2" | 1.53 | s | |
| 7-AcO | 1.95 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 67.1 |
| 2 | 72.9 |
| 3 | 36.6 |
| 4 | 84.3 |
| 5 | 71.8 |
| 6 | 30.9 |
| 7 | 71.5 |
| 8 | 45 |
| 9 | 78.1 |
| 10 | 68.2 |
| 11 | 135.1 |
| 12 | 148.6 |
| 13 | 77.4 |
| 14 | 42.2 |
| 15 | 77.1 |
| 16 | 27.6 |
| 17 | 27.7 |
| 18 | 12.9 |
| 19 | 15.7 |
| 20 | 71.3 |
| OBz-C-1' | 167.4 |
| OBz-C-2' | 131.3 |
| OBz-C-3' | 131.1 |
| OBz-C-4' | 129.5 |
| OBz-C-5' | 134.2 |
| C-1" | 119.6 |
| C-2" | 22.3 |
