Common Name: 12-Hydroxy-14-methoxyabieta-8,11,13-trien-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O3/c1-12(2)18-15(22)11-14-13(19(18)24-6)7-8-16-20(3,4)17(23)9-10-21(14,16)5/h11-12,16,22H,7-10H2,1-6H3/t16-,21+/m0/s1
InChIKey: InChIKey=TZQODEMPJPONPQ-HRAATJIYSA-N
Formula: C21H30O3
Molecular Weight: 330.4611
Exact Mass: 330.219495
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: Carbon atoms in 13C spectrum not assigned.
Position | PPM | Peak Type | J (Hz) |
---|---|---|---|
1a | 1.91 | m | |
1b | 2.33 | ddd | 13.1, 7.4, 4.2 |
2 | 2.6 | m | |
5 | 1.84 | dd | 12.5, 2.1 |
6a | 1.83 | m | |
6b | 1.68 | ddd | 12.5, 12.5, 5.7 |
7a | 2.6 | m | |
7b | 2.99 | ddd | 17.1, 5.7, 1.6 |
11 | 6.38 | s | |
12-OH | 4.47 | s | |
15 | 3.42 | sept | 7.2 |
16 | 1.34 | d | 7.2 |
17 | 1.35 | d | 7.2 |
18 | 1.14 | s | |
19 | 1.11 | s | |
20 | 1.25 | s | |
14-OCH3 | 3.67 | s |
Position | PPM |
---|---|
19.9 | |
21.07 | |
21.14 | |
21.14 | |
24.5 | |
24.9 | |
25.2 | |
26.9 | |
34.6 | |
37.2 | |
37.6 | |
47.3 | |
50.4 | |
60.7 | |
109 | |
121 | |
125 | |
135.6 | |
146.7 | |
153.4 | |
217.1 |