Abieta-8,11,13-trien-3α-ol

Abieta-8,11,13-trien-3α-ol

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

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(3,4)18(21)10-11-20(16,17)5/h6,8,12-13,17-18,21H,7,9-11H2,1-5H3/t17-,18+,20+/m0/s1

InChIKey: InChIKey=WTHUMSLQUHCWCH-NLWGTHIKSA-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 1.85 ddd 13.7, 13.7, 3.5
1b 2.01 ddd 13.7, 3.5, 3.5
2a 1.72 m
2b 2.09 dddd 13.7, 13.7, 3.5, 2.5
3b 3.48 dd 2.5, 2.5
5 1.72 m
6a 1.72 m
6b 1.72 m
7a 2.89 m
7b 2.89 m
11 7.15 d 8.2
12 6.96 d 8.2
14 6.86 s
15 2.8 sept 7
16 1.2 d 7
17 1.2 d 7
18 1.01 s
19 0.94 s
20 1.18 s

Carbon NMR Peaks

Position PPM
18.7
22.1
24
24
24.7
25.9
28.1
29.7
30.3
31.5
33.5
37.7
43.7
75.8
75.8
75.8
123.8
124.2
126.8
134.8
145.5
147.2