14-Methoxyabieta-8,11,13-trien-3β-ol

14-Methoxyabieta-8,11,13-trien-3β-ol

Common Name: 14-Methoxyabieta-8,11,13-trien-3β-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-BBTUJRGHSA-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 1.52 m
1b 2.27 ddd 13.1, 3.5, 3.5
2a 1.77 m
2b 1.77 m
3a 3.28 dd 10.9, 4.9
5 1.28 dd 12.5, 2
6a 1.91 dd 13.2, 7.5
6b 1.68 m
7a 2.7 ddd 17.6, 11.6, 7.5
7b 3.02 dd 17.6, 5.3
11 6.98 d 8.4
12 7.03 d 8.4
15 3.26 sept 6.9
16 1.18 d 6.9
17 1.19 d 6.9
18 1.06 s
19 0.88 s
20 1.17 s
14-OCH3 3.7 s

Carbon NMR Peaks

Position PPM
15.4
18.4
23.9
24
24.9
25.2
26.1
28.1
28.2
37.1
37.5
38.9
49.5
60.5
78.8
120.4
123.8
128.6
138.2
148.5
152.7