Spektraris NMR
Wilforine
Common Name: Wilforine
Synonyms: 26-Deoxywilfordine
CAS Registry Number: 11088-09-8
InChI: InChI=1S/C42H47NO18/c1-20-17-28-27(15-12-16-43-28)38(51)54-18-39(7)29-30(55-22(3)45)34(57-24(5)47)41(19-53-21(2)44)35(58-25(6)48)31(59-37(50)26-13-10-9-11-14-26)33(60-36(20)49)40(8,52)42(41,61-39)32(29)56-23(4)46/h9-16,20,29-35,52H,17-19H2,1-8H3/t20?,29-,30-,31+,32-,33+,34-,35+,39+,40+,41-,42+/m1/s1
InChIKey: InChIKey=JELFJVNNEOSOBP-HQTAOPBKSA-N
Formula: C43H49N1O18
Molecular Weight: 867.84506
Exact Mass: 867.294964
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
Notes: No 13-C data provided.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 5.76 | d | 3.5 |
| 2 | 5.48 | dd | 3.5, 2.6 |
| 3 | 5.08 | d | 2.6 |
| 6 | 6.12 | s | |
| 7 | 2.37 | d | 3.8 |
| 9 | 5.41 | d | 5.8 |
| 11 | 4.955 | 13.5 | |
| 15 | 3.8 | d | 12 |
| 15 | 5.77 | d | 12 |
| 2' | 8.76 | dd | 4.6, 2 |
| 3' | 7.29 | dd | 4.6, 2 |
| 4' | 8.14 | dd | 8, 2 |
| 7' | 3.97 | m | |
| 7' | 2.94 | m | |
| 8' | 2.33 | m | |
| 9' | 2.33 | m | |
| 10' | 1.22 | d | 6.8 |
