Spektraris NMR
Mayteine
Common Name: Mayteine
Synonyms:
CAS Registry Number: 104736-05-2
InChI: InChI=1S/C43H49NO18/c1-20-21(2)37(50)60-34-32(57-24(5)47)36(61-38(51)27-14-11-10-12-15-27)42(19-54-22(3)45)35(59-26(7)49)31(56-23(4)46)29-33(58-25(6)48)43(42,41(34,9)53)62-40(29,8)18-55-39(52)28-16-13-17-44-30(20)28/h10-17,20-21,29,31-36,53H,18-19H2,1-9H3/t20?,21?,29-,31-,32+,33-,34+,35-,36+,40+,41+,42-,43+/m1/s1
InChIKey: InChIKey=PPRQMPUDIUVHQX-PDVUZMAKSA-N
Formula: C43H49N1O18
Molecular Weight: 867.84506
Exact Mass: 867.294964
NMR Solvent: CDCl3
MHz: 400.0
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; H-11 listed as multiplet with very wide chemical shift range (4.70-5.34 ppm; used mean (5.02 ppm) for Spektraris table)
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 5.9 | d | 4 |
| 2 | 5.36 | dd | 4, 2.5 |
| 3 | 4.8 | d | 2.5 |
| 6 | 7.09 | s | |
| 7 | 2.37 | d | 4 |
| 8 | 5.52 | dd | 6, 4 |
| 9 | 5.42 | d | 6 |
| 11 | 5.02 | m | 13.5 |
| 15 | 3.72 | d | 12 |
| 15 | 5.95 | d | 12 |
| 2' | 8.73 | dd | 4.5, 2 |
| 3' | 7.28 | dd | 8, 2 |
| 4' | 8.1 | dd | 8, 2 |
| 7' | 4.54 | m | |
| 8' | 2.6 | q | 7 |
| 9' | 1.41 | d | 7 |
| 10' | 1.22 | d | 7 |
