Spektraris NMR
14β-Acetoxy-(7,8)β, (9,11)β, (12,13)α-tris(epoxy)-2β, 19-Dihydroxy-18(4->3)abeo-abieta-3-en-18-oic acid lactone
Common Name: 14β-Acetoxy-(7,8)β, (9,11)β, (12,13)α-tris(epoxy)-2β, 19-Dihydroxy-18(4->3)abeo-abieta-3-en-18-oic acid lactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O8/c1-8(2)20-15(29-20)16-22(30-16)19(4)6-12(24)14-10(7-26-17(14)25)11(19)5-13-21(22,28-13)18(20)27-9(3)23/h8,11-13,15-16,18,24H,5-7H2,1-4H3/t11-,12-,13-,15-,16-,18+,19-,20-,21+,22+/m0/s1
InChIKey: InChIKey=QBFQFQQPYOYPGA-UJASBEQZSA-N
Formula: C22H26O8
Molecular Weight: 418.43704
Exact Mass: 418.162768
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 | 1.43 | dd | 14.1, 5.8 |
| 1b | 1.862 | d | 14.1 |
| 2a | 4.59 | d | 5.8 |
| 5 | 2.6 | dd | 13, 5.8 |
| 6a | 2.2 | ddd | 14.7, 5.8, 5.6 |
| 6b | 2 | dd | 14.7, 13 |
| 7a | 3.44 | d | 5.6 |
| 11a | 3.83 | d | 3.1 |
| 12b | 3.51 | d | 3.1 |
| 14a | 5.06 | s | |
| 14b-OAc | 2.15 | s | |
| 15 | 1.86 | sept | 7 |
| 16 | 0.82 | d | 7 |
| 17 | 0.94 | d | 7 |
| 19 | 4.74 | s | |
| 20 | 1.24 | s |
