Spektraris NMR
Taxezopidine G
Common Name: Taxezopidine G
Synonyms: Taxinine NN-1
CAS Registry Number: 205440-22-8
InChI: InChI=1S/C35H44O9/c1-19-26(44-28(39)15-14-24-12-10-9-11-13-24)16-17-35(8)29(19)31(40)25-18-27(41-21(3)36)20(2)30(34(25,6)7)32(42-22(4)37)33(35)43-23(5)38/h9-15,25-27,29,31-33,40H,1,16-18H2,2-8H3/b15-14+/t25-,26-,27-,29-,31+,32+,33-,35+/m0/s1
InChIKey: InChIKey=NQINDQGQJLIYFL-PBRGCZQGSA-N
Formula: C35H44O9
Molecular Weight: 608.72
Exact Mass: 608.2985
NMR Solvent: CDCl3
MHz: 500.0
Calibration: Residual solvent 7.26 ppm for proton and 77.0 ppm for carbon.
NMR references: Wang, X., Shigemori, H., and Kobayashi, J. (1998). Taxezopidines B−H, New Taxoids from Japanese Yew Taxus cuspidata. J. Nat. Prod. 61, 474–479.
Species: Taxus
Notes: Multiplets in reference reported as a range of ppm values we report as center of peak (average) ppm value.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 2.09 | d | 11 |
| 2 | 4.22 | d | 6.4 |
| 3 | 3.21 | d | 6.4 |
| 5 | 5.45 | s | |
| 6a | 1.91 | dd | 13.2, 1 |
| 6b | 1.81 | dd | 9.9, 1 |
| 7a | 1.74 | m | |
| 7b | 1.74 | m | |
| 9 | 5.88 | d | 10.5 |
| 10 | 6.05 | d | 10.5 |
| 13 | 5.84 | dd | 12.5, 12.5 |
| 14a | 2.65 | m | |
| 14b | 1.31 | dd | 15, 8.1 |
| 16 | 1.7 | s | |
| 17 | 1.14 | s | |
| 18 | 2.28 | s | |
| 19 | 0.96 | s | |
| 20a | 5.56 | s | |
| 20b | 5.5 | s | |
| 22 | 6.65 | d | 16 |
| 23 | 7.78 | d | 16 |
| 25 | 7.49 | m | |
| 26 | 7.41 | m | |
| 27 | 7.41 | m | |
| 28 | 7.41 | m | |
| 29 | 7.49 | m | |
| 10-OAc | 2.06 | s | |
| 9-OAc | 2.01 | s | |
| 13-OAc | 1.77 | s | |
| 2-OH | 1.63 | br |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 51.26 |
| 2 | 70.35 |
| 3 | 45.67 |
| 4 | 143.59 |
| 5 | 78.56 |
| 6 | 28.35 |
| 7 | 26.91 |
| 8 | 44.45 |
| 9 | 77.1 |
| 10 | 72.4 |
| 11 | 133.61 |
| 12 | 136.62 |
| 13 | 70.53 |
| 14 | 29.19 |
| 15 | 37.35 |
| 16 | 27.57 |
| 17 | 31.73 |
| 18 | 15.31 |
| 19 | 17.93 |
| 20 | 119.42 |
| 21 | 166.33 |
| 22 | 118.74 |
| 23 | 145.53 |
| 24 | 134.32 |
| 25 | 129.04 |
| 26 | 128.05 |
| 27 | 130.56 |
| 28 | 128.05 |
| 29 | 129.04 |
| 13-CH3CO | 170.69 |
| 9-CH3CO | 170.26 |
| 10-CH3CO | 169.81 |
| 9-CH3CO | 21 |
| 13-CH3CO | 21 |
| 10-CH3CO | 20.8 |
