14-Methoxyabieta-8,11,13-trien-3α-ol

14-Methoxyabieta-8,11,13-trien-3α-ol

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

Synonyms: 14-Methoxyabieta-8,11,13-trien-3-ol

CAS Registry Number:

InChI: InChI=1S/C21H32O2/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/h7,9,13,17-18,22H,8,10-12H2,1-6H3/t17-,18+,21+/m0/s1

InChIKey: InChIKey=JSUPHJSYWDZOIC-WAOWUJCRSA-N

Formula: C21H32O2

Molecular Weight: 316.47758

Exact Mass: 316.24023

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 1.83 m
1b 2 ddd 13.1, 3.8, 3.5
2a 1.7 m
2b 2.09 dddd 14.1, 14.1, 3.8, 2.4
3b 3.49 dd 3.3, 2.4
5 1.7 m
6a 1.83 m
6b 1.7 m
7a 2.73 ddd 17.8, 10.6, 8.6
7b 2.99 dd 17.8, 4.9
11 7 d 8.4
12 7.03 d 8.4
15 3.24 sept 6.9
16 1.18 d 6.9
17 1.189 d 6.9
18 1.03 s
19 0.94 s
20 1.178 s
14-OCH3 3.69 s

Carbon NMR Peaks

Position PPM
18.2
22.1
23.9
24
24.7
24.8
25.9
26
28.1
29.7
31.7
37.7
43.4
60.5
75.7
120.3
123.7
128.5
138
148.9
154.8