Abieta-8,11,13,-trien-7-one

Abieta-8,11,13,-trien-7-one

Common Name: Abieta-8,11,13,-trien-7-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O/c1-13(2)14-7-8-16-15(11-14)17(21)12-18-19(3,4)9-6-10-20(16,18)5/h7-8,11,13,18H,6,9-10,12H2,1-5H3/t18-,20+/m0/s1

InChIKey: InChIKey=ISHVJVXYPLFKAL-AZUAARDMSA-N

Formula: C20H28O1

Molecular Weight: 284.43572

Exact Mass: 284.214016

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 regelii (stem bark) - Lee B.W., Seo W.D., Gal S.W., Yang M.S., and Park K.H. (2004) Quinone methide triterpenes from Tripterygium regelii. Agric. Chem. Biotechnol. 47, 77-80;

Notes: Carbon atoms in 13C spectrum not assigned.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1a 1.52 m
1b 2.31 d 12.6
2a 1.66 m
2b 1.75 dddd 13.7, 13.7, 3.3, 3.3
3a 1.27 m
3b 1.52 m
5 1.86 dddd 13.5, 4.4
6a 2.71 dddd 18.1, 4.4
6b 2.62 dd 18.1, 13.5
11 7.27 d 8.2
12 7.37 dd 8.2, 2.1
14 7.85 d 2.1
15 2.9 sept 6.9
16 1.225 d 6.9
17 1.227 d 6.9
18 0.98 s
19 0.91 s
20 1.215 s

Carbon NMR Peaks

Position PPM
18.9
21.3
23.4
23.75
23.82
32.5
33.2
33.6
36.3
37.9
38
41.4
49.4
123.7
124.9
130.7
132.4
146.6
153.8
199.8