Spektraris NMR
Taxezopidine B
Common Name: Taxezopidine B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H40O10/c1-12-19(32)10-17-21(34-13(2)28)20-16(11-27)18(31)8-9-25(20,7)22(35-14(3)29)23(36-15(4)30)26(12,33)24(17,5)6/h12,16-18,20-23,27,31,33H,8-11H2,1-7H3/t12-,16?,17+,18+,20?,21?,22?,23?,25-,26+/m1/s1
InChIKey: YYUKODQZQWFPDD-WGAYIXSSSA-N
Formula: C26H38O10
Molecular Weight: 510.5724
Exact Mass: 510.245
NMR Solvent: C6D6
MHz: 500 (1H); 125 (13C)
Calibration: 7.26 ppm resonance of residual CHCl3 and 77.0 ppm of CDCl3
NMR references: Xiao-xia Wang, Hideyuki Shigemori, Jun'ichi Kobayashi. Taxezopidines B−H, New Taxoids from Japanese Yew Taxus cuspidata. J. Nat. Prod. 1998, 61, 4, 474-479. https://doi.org/10.1021/np970584r
Species: Taxus cuspidata Sieb. et Zucc. seeds- collected at Sapporo, Hokkaido
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 2.06 | brs | |
| 2 | 6.3 | brs | |
| 5 | 4.1 | brs | |
| 6a | 1.75 | m | |
| 6b | 1.5 | m | |
| 7a | 1.96 | m | |
| 7b | 1.48 | m | |
| 9 | 6.11 | d | 7.1 |
| 10 | 5.4 | d | 7.1 |
| 12 | 2.91 | q | 6.8 |
| 14 | 2.86 | m | |
| 16 | 1.71 | s | |
| 17 | 1 | s | |
| 18 | 1.52 | d | 6.8 |
| 19 | 1.21 | s | |
| 20a | 4.6 | d | 12 |
| 20b | 3.98 | d | 12 |
| 5-OH | 2.86 | brs | |
| 11-OH | 3.01 | brs | |
| 20-OH | 1.75 | brs | |
| 2-AcO | 1.66 | s | |
| 9-AcO | 1.65 | s | |
| 10-AcO | 1.6 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 50.1 |
| 2 | 72.02 |
| 3 | 137.08 |
| 4 | 141.91 |
| 5 | 66.13 |
| 6 | 20.22 |
| 7 | 23.79 |
| 8 | 43.87 |
| 9 | 75.82 |
| 10 | 76.01 |
| 11 | 79.8 |
| 12 | 50.79 |
| 13 | 209.54 |
| 14 | 38.03 |
| 15 | 44.5 |
| 16 | 23.81 |
| 17 | 30.9 |
| 18 | 9.83 |
| 19 | 26 |
| 20 | 64.46 |
