Spektraris NMR
Triptofoldin B
Common Name: Triptofoldin B
Synonyms: TWHR-2
CAS Registry Number:
InChI: InChI=1S/C29H34O7/c1-26(2)20-17-22(35-25(32)19-13-9-6-10-14-19)28(4)21(34-24(31)18-11-7-5-8-12-18)15-16-27(3,33)29(28,36-26)23(20)30/h5-14,20-23,30,33H,15-17H2,1-4H3/t20-,21+,22+,23-,27+,28+,29+/m1/s1
InChIKey: InChIKey=SKDHDLDJUMQXEN-WLQGXWSUSA-N
Formula: C29H34O7
Molecular Weight: 494.57606
Exact Mass: 494.230453
NMR Solvent: CDCl3
MHz: 400 (1H), 100 (13C)
Calibration: TMS
NMR references: Nakano, K., Oose, Y., Masuda, Y., Kamada, H., Takaishi, Y. (1998) Terpenoids in Transformed Root Culture of Tripterygium wilfordii. Phytochemsitry 49, 1821-1824.
Species: Tripterygium wilfordii var. regelii - Nakano, K., Oose, Y., Masuda, Y., Kamada, H., Takaishi, Y. (1998) Terpenoids in Transformed Root Culture of Tripterygium wilfordii. Phytochemsitry 49, 1821-1824.
Notes: Poorly annotated spectral signals
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 5.6 | dd | 4.4, 12.2 |
| 6 | 4.51 | d | 5.4 |
| 7 | 2.22 | t | 2.9 |
| 8-alpha | 2.16 | dd | 3.4, 16.1 |
| 8-beta | 2.3 | ddd | 3.4, 7.2, 16.1 |
| 9 | 5.07 | d | 6.8 |
| CH3 (position unknown) | 1.51 | s | |
| CH3 (position unknown) | 1.53 | s | |
| CH3 (position unknown) | 1.6 | s | |
| CH3 (position unknown) | 1.65 | s | |
| 4-OH | 3.3 | s | |
| 6-OH | 5.14 | d | 5.4 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 73.2 |
| 2 | 23.5 |
| 3 | 37.3 |
| 4 | 73.1 |
| 5 | 91.6 |
| 6 | 79.7 |
| 7 | 50.2 |
| 8 | 32 |
| 9 | 73.5 |
| 10 | 50.6 |
| 11 | 84.6 |
| 12 | 30.1 |
| 13 | 26.6 |
| 14 | 23.8 |
| 15 | 20.3 |
| C=O | 165.3 |
| C=O | 165.5 |
| Aromatic (several signals; C positions unknown) | 130 |
