Abieta-8,11,13-trien-14-ol

Abieta-8,11,13-trien-14-ol

Common Name: Abieta-8,11,13-trien-14-ol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O/c1-13(2)14-7-9-16-15(18(14)21)8-10-17-19(3,4)11-6-12-20(16,17)5/h7,9,13,17,21H,6,8,10-12H2,1-5H3/t17-,20+/m0/s1

InChIKey: InChIKey=HOJWCCXHGGCJQV-FXAWDEMLSA-N

Formula: C20H30O1

Molecular Weight: 286.4516

Exact Mass: 286.229666

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 1.39 ddd 12.8, 12.8, 3.7
1b 2.27 ddd 12.8
2a 1.73 m
2b 1.6 m
3a 1.21 m
3b 1.48 ddd 13.2
5 1.33 ddd 12.7, 2.1
6a 1.98 ddd 13.3, 7.9
6b 1.73 m
7a 2.61 ddd 16.5, 11.3, 7.9
7b 2.81 dd 16.5, 6.6
11 6.86 d 8.2
12 7.02 d 8.2
14-OH 4.59 s
15 3.15 sept 6.9
16 1.24 d 6.9
17 1.26 d 6.9
18 0.96 s
19 0.94 s
20 1.2 d 0.4

Carbon NMR Peaks

Position PPM
18.4
19.3
21.6
22.5
22.8
24.3
24.8
26.9
33.3
33.4
37.5
38.9
41.6
49.7
116.4
120.6
123.2
129.9
149.1
150.2