Spektraris NMR
Tasumatrol H
Common Name: Tasumatrol H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O11/c1-14-17(32)12-27-20(14)29(37,24(35)40-25(27,3)4)26(5)18(33)11-19(38-15(2)31)28(36,13-30)21(26)22(27)39-23(34)16-9-7-6-8-10-16/h6-10,17-19,21-22,30,32-33,36-37H,11-13H2,1-5H3/t17-,18-,19?,21?,22?,26+,27-,28-,29+/m0/s1
InChIKey: SPVRLXGJRZEFBD-PQUNBOCDSA-N
Formula: C29H36O11
Molecular Weight: 560.2257
Exact Mass: 560.2255
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.
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 | 5.74 | d | 12 |
| 3 | 2.85 | d | 12 |
| 5 | 5.1 | brs | |
| 6α | 1.97 | m | |
| 6β | 1.95 | m | |
| 7 | 4.25 | m | |
| 13 | 4.54 | m | |
| 14α | 2.46 | dd | 14.8, 6.6 |
| 14β | 2.22 | dd | 14.8, 7.5 |
| 16 | 1.27 | s | |
| 17 | 1.24 | s | |
| 18 | 1.24 | s | |
| 19 | 2.08 | s | |
| 20α | 3.73 | brs | |
| 20β | 3.81 | brs | |
| o-Ph | 8.01 | d | 6.9 |
| m-Ph | 7.46 | t | 6.9 |
| p-Ph | 7.57 | t | 6.9 |
| 5-OAc | 2.02 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 61 |
| 2 | 68.8 |
| 3 | 45.9 |
| 4 | 74.6 |
| 5 | 72.2 |
| 6 | 32.5 |
| 7 | 68.2 |
| 8 | 48.5 |
| 9 | 84.3 |
| 10 | 172.8 |
| 11 | 131 |
| 12 | 139.9 |
| 13 | 79 |
| 14 | 36.3 |
| 15 | 88.2 |
| 16 | 22.1 |
| 17 | 24.6 |
| 18 | 10.3 |
| 19 | 11.6 |
| 20 | 61.9 |
| OCOPh | 165.4 |
| i-Ph | 131.3 |
| o-Ph | 130.3 |
| m-Ph | 128.4 |
| p-Ph | 133 |
