12-Hydroxy-14-methoxyabieta-8,11,13-trien-3-one

12-Hydroxy-14-methoxyabieta-8,11,13-trien-3-one

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.

Proton NMR Peaks

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

Carbon NMR Peaks

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