Spektraris NMR
Tasumatrol J
Common Name: Tasumatrol J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O9/c1-15-11-12-27-20(15)29(34,24(33)38-25(27,3)4)26(5)18(31)13-19-28(14-35-19,37-16(2)30)21(26)22(27)36-23(32)17-9-7-6-8-10-17/h6-10,18-19,21-22,31,34H,11-14H2,1-5H3/t18-,19+,21?,22?,26+,27-,28?,29+/m0/s1
InChIKey: SVGLRYYOFWEEMV-QTXGGGGJSA-N
Formula: C29H34O9
Molecular Weight: 504.238331
Exact Mass: 504.2385
NMR Solvent: CDCl3
MHz: 500 (1H); 125 (13C)
Calibration: TMS
NMR references: Ya-Ching Shen, Yun-Sheng Lin, Yuan-Bin Cheng, Kuen-Ching Cheng, Ashraf Taha Khalil, Yao-Haur Kuo, Ching-Te Chien, Yu-Chi Lin. Novel taxane diterpenes from Taxus sumatrana with the first C-21 taxane ester. Tetrahedron, Volume 61, Issue 5, 2005, Pages 1345-1352, ISSN 0040-4020. https://doi.org/10.1016/j.tet.2004.10.110.
Species: The leaves and twigs of seven years old trees of T. sumatrana (Miq.) de Laub. were collected from Kaohsiung county, Taiwan at an altitude of 1000 m in March 2002
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 2 | 5.82 | d | 12 |
| 3 | 2.69 | d | 12 |
| 5 | 4.85 | d | 9 |
| 6α | 2.71 | m | |
| 6β | 2.67 | m | |
| 7 | 4.31 | brs | |
| 13α | 2.43 | m | |
| 13β | 2.39 | m | |
| 14α | 2.4 | m | |
| 14β | 2.36 | m | |
| 16 | 1.32 | s | |
| 17 | 1.26 | s | |
| 18 | 2.04 | s | |
| 19 | 1.6 | s | |
| 20α | 4.68 | d | 9 |
| 20β | 4.24 | d | 9 |
| o-Ph | 7.97 | d | 7.1 |
| m-Ph | 7.47 | t | 7.1 |
| p-Ph | 7.61 | t | 7.1 |
| 4-OAc | 1.76 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 62.8 |
| 2 | 68.9 |
| 3 | 43.7 |
| 4 | 80.6 |
| 5 | 84.4 |
| 6 | 37.4 |
| 7 | 71.1 |
| 8 | 48.2 |
| 9 | 85.8 |
| 10 | 175.1 |
| 11 | 127.7 |
| 12 | 138.8 |
| 13 | 39.2 |
| 14 | 25.5 |
| 15 | 91.4 |
| 16 | 22.2 |
| 17 | 24.4 |
| 18 | 14.1 |
| 19 | 10.2 |
| 20 | 74.3 |
| OCOPh | 164.7 |
| i-Ph | 130.1 |
| o-Ph | 129.5 |
| m-Ph | 128.3 |
| p-Ph | 133.5 |
