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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H30O3/c1-12(2)14-11-15(22)18-13(19(14)24-6)7-8-16-20(3,4)17(23)9-10-21(16,18)5/h11-12,16,22H,7-10H2,1-6H3/t16-,21-/m0/s1

InChIKey: InChIKey=SPNKZMRXBVCONG-KKSFZXQISA-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 1.94 m
1b 3.05 ddd 13.8, 8.5, 6.3
2a 2.66 ddd 15.2, 9.9, 6.3
2b 2.43 ddd 15.2, 8.5, 5.9
5 1.99 dd 12.3, 1.8
6a 1.79 dddd 13, 6, 1.8, 1.8
6b 1.54 dddd 13, 13, 12.3, 4.7
7a 2.56 ddd 17.1, 13, 6
7b 3.1 ddd 17.1, 4.7, 1.8
11-OH 4.55 s
12 6.36 s
15 3.23 sept 6.9
16 1.15 d 6.9
17 1.165 d 6.9
18 1.163 s
19 1.12 s
20 1.27 s
14-OCH3 3.66 s

Carbon NMR Peaks

Position PPM
19.9
20
20.4
23.7
23.8
26.1
26.5
28.4
34.4
35.5
38.1
47.2
52
60.7
111.8
131
131.3
139.4
148.5
150.7
219.5