Spektraris NMR
Taxuyunnanine Y
Common Name: Taxuyunnanine Y
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H38O10/c1-14-17(31)12-28(26(3,4)35)20(14)21(33)23(39-25(34)16-9-7-6-8-10-16)27(5)19(38-15(2)30)11-18(32)29(36)13-37-24(28)22(27)29/h6-10,17-19,21-24,31-33,35-36H,11-13H2,1-5H3/t17-,18-,19?,21+,22-,23?,24-,27+,28-,29-/m0/s1
InChIKey: ZAZMRYNTJZDHHP-ROKXLKEUSA-N
Formula: C29H38O10
Molecular Weight: 545.2387
Exact Mass: 545.2329
NMR Solvent: pyridine-d5
MHz: 400 (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 | 5.99 | d | 11.3 |
| 3 | 3.37 | d | 11.3 |
| 5 | 4.58 | brs | |
| 6α | 2.88 | t | 11.9 |
| 6β | 2.33 | m | |
| 7 | 6.29 | dd | 4.5, 11.9 |
| 9 | 5.91 | d | 5.1 |
| 10 | 5.63 | d | 5.1 |
| 13 | 4.96 | t | 6.9 |
| 14α | 2.76 | dd | 6.6, 14 |
| 14β | 2.55 | dd | 7.6, 14 |
| 16 | 1.4 | s | |
| 17 | 1.84 | s | |
| 18 | 1.76 | s | |
| 19 | 2.31 | s | |
| 20α | 4.6 | d | 7.9 |
| 20β | 4.08 | d | 7.9 |
| OBz-H-3' | 8.57 | d | 8.2 |
| OBz-H-4' | 7.23 | t | 7.7 |
| OBz-H-5' | 7.34 | t | 7.8 |
| AcO | 1.99 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 66.7 |
| 2 | 77.5 |
| 3 | 44 |
| 4 | 81.6 |
| 5 | 68.9 |
| 6 | 31.4 |
| 7 | 72.8 |
| 8 | 44.5 |
| 9 | 78.7 |
| 10 | 69.1 |
| 11 | 136.3 |
| 12 | 146.7 |
| 13 | 77.5 |
| 14 | 41.7 |
| 15 | 76.2 |
| 16 | 28.1 |
| 17 | 28 |
| 18 | 13.5 |
| 19 | 16.4 |
| 20 | 75.4 |
| OBz-C-1' | 166.3 |
| OBz-C-2' | 131.4 |
| OBz-C-3' | 130.6 |
| OBz-C-4' | 128.7 |
| OBz-C-5' | 132.9 |
| OAc–C=O | 170.3 |
| OAc–CH3 | 21.2 |
