Abieta-8,11,13-trien-3β-ol; abieta-8,11,13-trien-3-ol

Abieta-8,11,13-trien-3β-ol; abieta-8,11,13-trien-3-ol

Common Name: Abieta-8,11,13-trien-3β-ol; abieta-8,11,13-trien-3-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-CMKODMSKSA-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 1.52 m
1b 2.28 ddd 13, 3.3, 3.3
2a 1.77 m
2b 1.77 m
3a 3.27 ddd 10.8, 5.2
5 1.31 ddd 12.1, 2.1
6a 1.77 m
6b 1.77 m
7a 2.84 m
7b 2.93 ddd 17.2, 6
11 7.13 ddd 8.2
12 6.97 d 8.2
14 6.88 s
15 2.8 sept 6.9
16 1.2 d 6.9
17 1.2 d 6.9
18 1.05 s
19 0.88 s
20 1.17 s

Carbon NMR Peaks

Position PPM
15.3
18.9
24
24
24.9
28
28.1
30.7
33.4
36.9
37.3
39
49.9
78.8
78.8
78.8
123.9
124.4
126.8
134.7
145.8
146.8