14-Methoxyabieta-8,11,13-trien-3-one

14-Methoxyabieta-8,11,13-trien-3-one

Common Name: 14-Methoxyabieta-8,11,13-trien-3-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H30O2/c1-13(2)14-7-9-16-15(19(14)23-6)8-10-17-20(3,4)18(22)11-12-21(16,17)5/h7,9,13,17H,8,10-12H2,1-6H3/t17-,21+/m0/s1

InChIKey: InChIKey=KYKRDPYDEHBXPN-LAUBAEHRSA-N

Formula: C21H30O2

Molecular Weight: 314.4617

Exact Mass: 314.22458

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.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1a 1.92 m
1b 2.44 ddd 13.2, 7.5, 4.1
2a 2.55 ddd 15.8, 7.6, 4.1
2b 2.66 m
5 1.87 dd 12.6, 1.5
6a 1.84 m
6b 1.7 dddd 12.6, 12.6, 12.6, 5.5
7a 2.66 m
7b 3.1 dd 17.4, 5.5
11 7 d 8.3
12 7.06 d 8.3
15 3.27 sept 6.9
16 1.19 d 6.9
17 1.2 d 6.9
18 1.15 s
19 1.12 s
20 1.27 s
14-OCH3 3.71 s

Carbon NMR Peaks

Position PPM
19.8
21.1
23.9
23.9
24.6
25.3
26.1
26.8
29.7
34.7
37.6
47.3
50.4
60.5
121.3
124.1
128.5
138.5
146.5
154.7
217.3