Spektraris NMR
Taxezopidine M
Common Name: Taxezopidine M
Synonyms:
CAS Registry Number: 857297-57-5
InChI: InChI=1S/C37H49NO10/c1-20-28(48-29(42)17-27(38(8)9)25-13-11-10-12-14-25)15-16-35(6)30(20)32(45-22(3)39)26-18-37(43)21(2)31(36(26,7)19-44-37)33(46-23(4)40)34(35)47-24(5)41/h10-14,26-28,30,32-34,43H,1,15-19H2,2-9H3
InChIKey: InChIKey=GQESCWOGMSFPPK-UHFFFAOYSA-N
Formula: C37H49N1O10
Molecular Weight: 667.79
Exact Mass: 667.3356
NMR Solvent: CD3OD
MHz: 600.0
Calibration: Residual solvent 3.31 ppm and 49.0 ppm for proton and carbon respectively.
NMR references: Morita, H., Machida, I., Hirasawa, Y., and Kobayashi, J. (2005). Taxezopidines M and N, Taxoids from the Japanese Yew, Taxus cuspidata. J. Nat. Prod. 68, 935–937.
Species: Taxus
Notes: Aromatic protons not well described.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 2.14 | m | |
| 2 | 5.53 | d | 4.9 |
| 3 | 2.96 | d | 4.9 |
| 5 | 5.21 | br s | |
| 6 | 1.76 | m | |
| 7 | 1.76 | m | |
| 9 | 5.75 | d | 10.7 |
| 10 | 6.07 | d | 10.7 |
| 14a | 2.14 | m | |
| 14b | 1.48 | d | 15.4 |
| 16 | 1.49 | s | |
| 17a | 3.52 | d | 8.1 |
| 17b | 3.08 | d | 8.1 |
| 18 | 2.27 | s | |
| 19 | 0.89 | s | |
| 20a | 5.32 | s | |
| 20b | 5.12 | s | |
| 22a | 3.64 | m | |
| 22b | 3.28 | m | |
| 23 | 4.83 | m | |
| OAc-2 | 2.04 | s | |
| OAc-9 | 2.07 | s | |
| OAc-10 | 2 | s | |
| Ph | 7.53 | m | |
| NMe2-23 | 2.82 | m |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 49.2 |
| 2 | 71.3 |
| 3 | 43.7 |
| 4 | 142.6 |
| 5 | 81.1 |
| 6 | 28.9 |
| 7 | 28.6 |
| 8 | 44.8 |
| 9 | 77.5 |
| 10 | 71.2 |
| 11 | 130.4 |
| 12 | 143.4 |
| 13 | 97.2 |
| 14 | 35.8 |
| 15 | 38.6 |
| 16 | 17.6 |
| 17 | 75.2 |
| 18 | 12.5 |
| 19 | 17.7 |
| 20 | 119.9 |
| 21 | 170.5 |
| 22 | 37 |
| 23 | 67.8 |
| OAc-2 | 21.3 |
| OAc-2 | 171.2 |
| OAc-9 | 20.8 |
| OAc-9 | 172 |
| OAc-10 | 20.6 |
| OAc-10 | 171.4 |
| Ph | 132.1 |
| NMe2-23 | 41.8 |
