Spektraris NMR
Hypoglaunine B
Common Name: Hypoglaunine B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H47NO20/c1-18-24-12-13-42-15-25(24)34(48)55-16-37(7)27-28(56-20(3)44)32(58-22(5)46)40(17-54-19(2)43)33(59-23(6)47)29(60-35(49)26-11-10-14-53-26)31(61-36(50)38(18,8)51)39(9,52)41(40,62-37)30(27)57-21(4)45/h10-15,18,27-33,51-52H,16-17H2,1-9H3/t18?,27-,28-,29+,30-,31+,32-,33+,37+,38?,39+,40-,41+/m1/s1
InChIKey: InChIKey=JXQXTWWCCNHEQZ-PEWXIWONSA-N
Formula: C41H47N1O20
Molecular Weight: 873.80658
Exact Mass: 873.269143
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 | 5.68 | d | 3.9 |
| 2 | 5.54 | dd | 2.4, 3.9 |
| 3 | 4.79 | d | 2.4 |
| 5 | 7.05 | s | |
| 6 | 2.42 | d | 3.9 |
| 7 | 5.53 | dd | 3.9, 6.3 |
| 8 | 5.39 | d | 6.3 |
| 11' | 4.29 | d | 13.6 |
| 11" | 5.48 | d | 13.6 |
| 12 | 1.56 | s | |
| 14 | 1.63 | s | |
| 15' | 4.29 | d | 11.7 |
| 15" | 5.14 | d | 11.7 |
| 2' | 9 | s | |
| 5' | 7.83 | d | 4.9 |
| 6' | 8.69 | d | 4.9 |
| 7' | 4.24 | q | 6.8 |
| 9' | 1.19 | d | 6.8 |
| 10' | 1.38 | s | |
| 1-OAc | 2.2 | s | |
| 5-OAc | 2.18 | s | |
| 7-OAc | 1.98 | s | |
| 8-OAc | 1.85 | s | |
| 11-OAc | 2.33 | s | |
| 2-OFuranoyl (positions unknown) | 7.51 | d | |
| 2-OFuranoyl (positions unknown) | 6.89 | d | |
| 2-OFuranoyl (positions unknown) | 8.32 | d |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 73 |
| 2 | 68.3 |
| 3 | 77.9 |
| 4 | 71.7 |
| 5 | 74.7 |
| 6 | 51.1 |
| 7 | 69.3 |
| 8 | 71.2 |
| 9 | 52.8 |
| 10 | 93.6 |
| 11 | 60.6 |
| 12 | 22.8 |
| 13 | 83.6 |
| 14 | 18.7 |
| 15 | 69.9 |
| 2' | 151.7 |
| 3' | 127.7 |
| 4' | 152 |
| 5' | 123.6 |
| 6' | 152.7 |
| 7' | 42.3 |
| 8' | 77.1 |
| 9' | 17.4 |
| 10' | 24.2 |
| 11' | 175.2 |
| 12' | 167.7 |
| 1-OAc (CH3) | 21.5 |
| 1-OAc (carbonyl) | 169.5 |
| 5-OAc (CH3) | 20.9 |
| 5-OAc (carbonyl) | 169.8 |
| 7-OAc (CH3) | 20.4 |
| 7-OAc (carbonyl) | 168.8 |
| 8-OAc (CH3) | 20.3 |
| 8-OAc (carbonyl) | 169 |
| 11-OAc (CH3) | 21.2 |
| 11-OAc (carbonyl) | 170.6 |
| 2-OFuranoyl (position unknown) | 160.9 |
| 2-OFuranoyl (position unknown) | 144.4 |
| 2-OFuranoyl (position unknown) | 110 |
| 2-OFuranoyl (position unknown) | 118.5 |
| 2-OFuranoyl (position unknown) | 149 |
