Spektraris NMR
Euonine
Common Name: Euonine
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H47NO18/c1-17-12-13-25-24(11-10-14-39-25)34(47)50-15-35(8)26-27(51-19(3)41)31(54-22(6)44)37(16-49-18(2)40)32(55-23(7)45)28(52-20(4)42)30(56-33(17)46)36(9,48)38(37,57-35)29(26)53-21(5)43/h10-11,14,17,26-32,48H,12-13,15-16H2,1-9H3/t17?,26-,27-,28+,29-,30+,31-,32+,35+,36+,37-,38+/m1/s1
InChIKey: InChIKey=QIHHQEWWGMEJTH-UXDJDSGMSA-N
Formula: C38H47N1O18
Molecular Weight: 805.77568
Exact Mass: 805.279314
NMR Solvent: CDCl3
MHz: not listed
Calibration: not listed
NMR references: 1H, 13C - Luo, D., Zhang, X., Tian, X., Liu, J. (2004) Insecticidal compounds from Tripterygium wilfordii active against Mythimna separata. Z. Naturforsch. 59, 421-426;
Species: Tripterygium wilfordii - Luo, D., Zhang, X., Tian, X., Liu, J. (2004) Insecticidal compounds from Tripterygium wilfordii active against Mythimna separata. Z. Naturforsch. 59, 421-426;
Notes: 1H-NMR spectrum poorly annotated; carbon numbering different than in other papers (corrected for spectral record)
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 5.59 | d | 4 |
| 2 | 5.17 | dd | 3.4, 3.4 |
| 3 | 4.92 | d | 3.5 |
| 5 | 6.9 | s | |
| 6 | 2.32 | d | 4.03 |
| 7 | 5.54 | dd | 6, 4 |
| 8 | 5.34 | d | 5.8 |
| 5.36 | m | ||
| heterocycle (position unknown) | 7.41 | q | |
| heterocycle (position unknown) | 8.33 | q | |
| heterocycle (position unknown) | 8.72 | q | |
| OAc (position unknown) | 1.82 | s | |
| OAc (position unknown) | 1.98 | s | |
| OAc (position unknown) | 2.12 | s | |
| OAc (position unknown) | 2.28 | s | |
| OAc (position unknown) | 2.16 | s | |
| OAc (position unknown) | 2.16 | s | |
| 1.63 | s | ||
| 1.55 | s | ||
| 1.18 | d | 6 | |
| 5.23 | q | 13.2 | |
| 5.74 | q | 12.1 | |
| 3.1 | m | ||
| 2.47 | m | ||
| 4-OH | 4.94 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 73.5 |
| 2 | 69.3 |
| 3 | 77.3 |
| 4 | 69.8 |
| 5 | 73.7 |
| 6 | 51.1 |
| 7 | 69 |
| 8 | 70.9 |
| 9 | 52.1 |
| 10 | 93.8 |
| 11 | 60.1 |
| 12 | 22.7 |
| 13 | 84.4 |
| 14 | 17.9 |
| 15 | 70.3 |
| 33.1 | |
| 33.2 | |
| 38.4 | |
| 21.5 | |
| 175.1 | |
| 170.2 | |
| 166.7 | |
| heterocycle (position unknown) | 152.8 |
| heterocycle (position unknown) | 121.2 |
| heterocycle (position unknown) | 139 |
| heterocycle (position unknown) | 124.5 |
| heterocycle (position unknown) | 164.8 |
| 1-OAc (CH3) | 20.5 |
| 2-OAc (CH3) | 20.5 |
| 5-OAc (CH3) | 21 |
| 7-OAc (CH3) | 21.3 |
| 8-OAc (CH3) | 20.5 |
| 11-OAc (CH3) | 21.3 |
| 1-OAc (carbonyl) | 169.3 |
| 2-OAc (carbonyl) | 169 |
| 5-OAc (carbonyl) | 168.7 |
| 7-OAc (carbonyl) | 169.8 |
| 8-OAc (carbonyl) | 170.1 |
| 11-OAc (carbonyl) | 170.1 |
