Spektraris NMR
Hypoglaunine D
Common Name: Hypoglaunine D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H47NO19/c1-18-19(2)35(48)60-32-30(56-21(4)44)34(59-24(7)47)40(17-54-37(50)27-11-10-14-52-27)33(58-23(6)46)29(55-20(3)43)28-31(57-22(5)45)41(40,39(32,9)51)61-38(28,8)16-53-36(49)26-15-42-13-12-25(18)26/h10-15,18-19,28-34,51H,16-17H2,1-9H3/t18?,19?,28-,29-,30+,31-,32+,33-,34+,38+,39+,40-,41+/m1/s1
InChIKey: InChIKey=KQXBVFVORGQCER-PWIKAHHMSA-N
Formula: C41H47N1O19
Molecular Weight: 857.80718
Exact Mass: 857.274228
NMR Solvent: CDCl3
MHz: 400 (1H); 100 (13C)
Calibration: TMS
NMR references: 1H, 13C - Duan, H., Takaishi, Y. (1998) Structures of sequiterpene polyol alkaloids from Tripterygium hypoglaucum. Phytochemistry 49, 2185-2189.
Species: Tripterygium hypoglaucum - Duan, H., Takaishi, Y. (1998) Structures of sequiterpene polyol alkaloids from Tripterygium hypoglaucum. Phytochemistry 49, 2185-2189.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 5.63 | d | 3.9 |
| 2 | 5.26 | dd | 2.4, 3.9 |
| 3 | 4.75 | d | 2.4 |
| 5 | 6.87 | s | |
| 6 | 2.4 | d | 3.9 |
| 7 | 5.51 | dd | 3.9, 6.4 |
| 8 | 5.35 | d | 6.4 |
| 11' | 4.97 | d | 13.2 |
| 11" | 5.11 | d | 13.2 |
| 12 | 1.71 | s | |
| 14 | 1.68 | s | |
| 15' | 3.7 | d | 11.7 |
| 15" | 6.08 | d | 11.7 |
| 2' | 8.99 | s | |
| 5' | 7.37 | d | 5.4 |
| 6' | 8.71 | d | 5.4 |
| 7' | 4.72 | q | 7.3 |
| 8' | 2.47 | q | 6.8 |
| 9' | 1.37 | d | 7.3 |
| 10' | 1.09 | d | 6.8 |
| 1-OAc | 1.87 | s | |
| 2-OAc | 2.13 | s | |
| 5-OAc | 2.25 | s | |
| 7-OAc | 1.71 | s | |
| 8-OAc | 1.94 | s | |
| 11-OFuranyl (position unknown) | 7.5 | s | |
| 11-OFuranyl (position unknown) | 7.03 | d | 1 |
| 11-OFuranyl (position unknown) | 8.6 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 73.3 |
| 2 | 69.1 |
| 3 | 76 |
| 4 | 71 |
| 5 | 74.4 |
| 6 | 50.8 |
| 7 | 69 |
| 8 | 70.4 |
| 9 | 53 |
| 10 | 94.4 |
| 11 | 60.1 |
| 12 | 23.8 |
| 13 | 84.6 |
| 14 | 18.7 |
| 15 | 70.3 |
| 2' | 151 |
| 3' | 125.4 |
| 4' | 156.6 |
| 5' | 121.7 |
| 6' | 153 |
| 7' | 33.4 |
| 8' | 45.8 |
| 9' | 11.5 |
| 10' | 10 |
| 11' | 173.9 |
| 12' | 168.1 |
| 1-OAc (CH3) | 20.7 |
| 1-OAc (carbonyl) | 169.4 |
| 2-OAc (CH3) | 21.2 |
| 2-OAc (carbonyl) | 168.8 |
| 5-OAc (CH3) | 21.8 |
| 5-OAc (carbonyl) | 170.1 |
| 7-OAc (CH3) | 20.5 |
| 7-OAc (carbonyl) | 170.4 |
| 8-OAc (CH3) | 20.5 |
| 8-OAc (carbonyl) | 169.1 |
| 11-OFuranoyl (position unknown) | 162.4 |
| 11-OFuranoyl (position unknown) | 144.1 |
| 11-OFuranoyl (position unknown) | 110.3 |
| 11-OFuranoyl (position unknown) | 119.4 |
| 11-OFuranoyl (position unknown) | 149.6 |
