Spektraris NMR
Wilforol A
Common Name: Wilforol A
Synonyms: 1,2-Dihydroxy-6-oxo-D:A-friedo-24-nor-l,3,5 (10), 7-oleanatetraen-29-oic acid
CAS Registry Number:
InChI: InChI=1S/C29H38O5/c1-16-22-17(13-19(31)23(16)32)27(4)10-12-29(6)21-15-26(3,24(33)34)8-7-25(21,2)9-11-28(29,5)20(27)14-18(22)30/h13-14,21,31-32H,7-12,15H2,1-6H3,(H,33,34)/t21?,25-,26-,27+,28-,29+/m1/s1
InChIKey: InChIKey=MIQDJLKXHZPMHH-YRJYRXJBSA-N
Formula: C29H38O5
Molecular Weight: 466.60902
Exact Mass: 466.271924
NMR Solvent: DMSO
MHz: 400(1H), 100(13C)
Calibration: TMS
NMR references: Morota, T., Yang, C., Ogino, T., Qin, W., Katsuhara, T., Xu, L., Komatsu, Y., Miao, K., Maruno, M., Yang, B. (1995) D: A-Friedo-24-noroleanane triterpenoids from triptergigium wilfordii. Phytochemistry 39, 1159-1163.
Species: Tripterygium wilfordii - Morota, T., Yang, C., Ogino, T., Qin, W., Katsuhara, T., Xu, L., Komatsu, Y., Miao, K., Maruno, M., Yang, B. (1995) D: A-Friedo-24-noroleanane triterpenoids from triptergigium wilfordii. Phytochemistry 39, 1159-1163.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 6.84 | s | |
| 7 | 6.02 | s | |
| 23 | 2.47 | s | |
| 25 | 1.46 | s | |
| 26 | 1.26 | s | |
| 27 | 0.66 | s | |
| 28 | 1.08 | s | |
| 30 | 1.12 | s |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 108.4 |
| 2 | 141.8 |
| 3 | 149.1 |
| 4 | 124.8 |
| 5 | 121 |
| 6 | 186 |
| 7 | 125.3 |
| 8 | 170.2 |
| 10 | 149.3 |
| 11 | 33.6 |
| 12 | 29.3 |
| 13 | 38.5 |
| 14 | 44 |
| 15 | 28 |
| 16 | 36 |
| 17 | 30 |
| 18 | 43.6 |
| 19 | 30 |
| 20 | 39.3 |
| 21 | 29.3 |
| 22 | 34.5 |
| 23 | 13.5 |
| 25 | 37.4 |
| 26 | 20.7 |
| 27 | 18 |
| 28 | 31.3 |
| 29 | 179.3 |
| 30 | 32.2 |
