Spektraris NMR
18(4->3)abeo-Abieta-3,8,11,13-tetraen-18-oic acid
Common Name: 18(4->3)abeo-Abieta-3,8,11,13-tetraen-18-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O2/c1-12(2)14-5-8-18-15(11-14)6-7-17-13(3)16(19(21)22)9-10-20(17,18)4/h5,8,11-12,17H,6-7,9-10H2,1-4H3,(H,21,22)/t17-,20-/m0/s1
InChIKey: InChIKey=AVELPKSDGFIWLJ-PXNSSMCTSA-N
Formula: C20H26O2
Molecular Weight: 298.41924
Exact Mass: 298.19328
NMR Solvent: CDCl3
MHz: 400 (1H), 50 (13C)
Calibration: TMS
NMR references: 1H - Kutney J.P. and Han K. (1996) Studies with plant-cell cultures of the Chinese herbal plant, Tripterygium wilfordii. Recl. Trav. Chim. Pays-Bas 115, 77-93.
Species: Tripterygium wilfordii - Kutney J.P. and Han K. (1996) Studies with plant-cell cultures of the Chinese herbal plant, Tripterygium wilfordii. Recl. Trav. Chim. Pays-Bas 115, 77-93;
Notes: No 13C data provided.
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1a | 1.61 | ddd | 12.7, 12.7, 7.5 |
| 1b | 2.35 | m | |
| 2a | 2.52 | m | |
| 2b | 2.52 | m | |
| 5 | 2.35 | m | |
| 6a | 2.25 | m | |
| 6b | 1.71 | ddd | 13.1, 10.1, 8.1 |
| 7a | 2.95 | m | |
| 7b | 2.95 | m | |
| 11 | 7.22 | ddd | 8.1 |
| 12 | 7 | ddd | 8.1 |
| 14 | 6.94 | s | |
| 15 | 2.83 | sept | 7 |
| 16 | 1.22 | ddd | 7 |
| 17 | 1.22 | ddd | 7 |
| 19 | 2.09 | ddd | 1.2 |
| 20 | 1.03 | s |
