Spektraris NMR
Taxuyunnanine Z
Common Name: Taxuyunnanine Z
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O11/c1-11-15(35-12(2)27)9-26(33)22-20-24(7,21(31)19(37-14(4)29)18(11)23(26,5)6)16(30)8-17(36-13(3)28)25(20,32)10-34-22/h15-17,19-22,30-33H,8-10H2,1-7H3/t15?,16-,17?,19?,20-,21-,22-,24+,25-,26+/m0/s1
InChIKey: PQMYVTAUNFSNGE-KHJKUKOXSA-N
Formula: C26H38O11
Molecular Weight: 525.2336
Exact Mass: 525.2272
NMR Solvent: CD3OD and pyridine-d5
MHz: 500 (1H); 100 (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 | 4.89 | d | 9.8 |
| 3 | 2.87 | d | 9.8 |
| 5 | 5.43 | t | 2.8 |
| 6α | 2.88 | m | |
| 6β | 2.49 | br dd | 4.4, 14.5 |
| 7 | 4.75 | dd | 4.6, 11.3 |
| 9 | 5.02 | covered by H2O | |
| 10 | 6.67 | d | 10.3 |
| 13 | 6.14 | dd | 3.5, 9.4 |
| 14α | 2.93 | 10.5, 15.9 | |
| 14β | 2.53 | dd | 4.7, 15.6 |
| 16 | 1.32 | s | |
| 17 | 1.71 | s | |
| 18 | 2.28 | s | |
| 19 | 2.06 | s | |
| 20α | 3.91 | d | 8.5 |
| 20β | 3.85 | d | 8.5 |
| 1-OH | 6.57 | s | |
| 4-OH | 7.27 | s | |
| 7-OH | 7.07 | s | |
| 9-OH | 8.64 | d | 6.1 |
| OAc | 2.23 | s | |
| OAc | 2.07 | s | |
| OAc | 2.04 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 80.4 |
| 2 | 84 |
| 3 | 48.6 |
| 4 | 82.2 |
| 5 | 71.4 |
| 6 | 33.5 |
| 7 | 73.3 |
| 8 | 46.2 |
| 9 | 80 |
| 10 | 76.7 |
| 11 | 137.4 |
| 12 | 137.6 |
| 13 | 72 |
| 14 | 37.6 |
| 15 | 43.3 |
| 16 | 27.9 |
| 17 | 23.1 |
| 18 | 15.2 |
| 19 | 16 |
| 20 | 74.9 |
