Spektraris NMR
Evonine
Common Name: Evonine
Synonyms:
CAS Registry Number: 33458-64-9
InChI: InChI=1S/C36H43NO17/c1-15-16(2)31(44)53-29-26(49-18(4)39)30(52-21(7)42)35(14-47-17(3)38)28(51-20(6)41)25(43)23-27(50-19(5)40)36(35,34(29,9)46)54-33(23,8)13-48-32(45)22-11-10-12-37-24(15)22/h10-12,15-16,23,26-30,46H,13-14H2,1-9H3/t15?,16?,23-,26+,27-,28-,29+,30+,33+,34+,35-,36+/m1/s1
InChIKey: InChIKey=IMIAGCONYJPMDY-RYQZUCOZSA-N
Formula: C36H43N1O17
Molecular Weight: 761.72312
Exact Mass: 761.253099
NMR Solvent: CDCl3
MHz: 400 (1H)
Calibration: TMS
NMR references: 1H - Chunquan, C. Jikai, L, Dagang, W. (1992). Forrestine, an Alkaloid from Tripterygium forrestii. Phytochemistry 31, 4391-4392;
Species: Tripterygium forrestii - Chunquan, C. Jikai, L, Dagang, W. (1992). Forrestine, an Alkaloid from Tripterygium forrestii. Phytochemistry 31, 4391-4392
Notes: No 13-C data provided.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 5.71 | d | 3.2 |
| 2 | 5.29 | dd | 3.2, 3.2 |
| 3 | 4.78 | d | 3.2 |
| 6 | 6.72 | d | 1 |
| 7 | 3.04 | d | 1 |
| 9 | 5.57 | s | |
| 11 | 4.7 | 13 | |
| 15 | 3.78 | d | 13 |
| 15 | 6.04 | d | 13 |
| 2' | 8.69 | dd | 4.5, 2 |
| 3' | 7.25 | dd | 8, 2 |
| 4' | 8.07 | dd | 8, 2 |
| 7' | 4.69 | m | |
| 8' | 2.58 | q | 7 |
| 9' | 1.41 | d | 7 |
| 10' | 1.22 | d | 7 |
