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

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

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O2/c1-12(2)13-6-8-15-14(18(13)22)7-9-16-19(3,4)17(21)10-11-20(15,16)5/h6,8,12,16,22H,7,9-11H2,1-5H3/t16-,20+/m0/s1

InChIKey: InChIKey=WENIWZBFJBCNNG-OXJNMPFZSA-N

Formula: C20H28O2

Molecular Weight: 300.43512

Exact Mass: 300.20893

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 1.82 m
1b 2.52 m
2a 2.52 m
2b 2.69 ddd 15.7, 10.7, 7.1
5 1.82 m
6a 1.82 m
6b 1.82 m
7a 2.52 m
7b 2.9 dd 16.6, 5.9
11 6.83 d 8.2
12 7.02 d 8.2
14-OH 4.64 s
15 3.1 sept 7
16 1.22 d 7
17 1.24 d 7
18 1.15 s
19 1.12 s
20 1.3 s

Carbon NMR Peaks

Position PPM
19.5
21.2
22.5
22.7
24.4
24.6
26.6
26.9
34.7
37.1
37.6
47.3
50.1
117.3
120.8
123.6
130.4
146.4
150.1
217.1