18-Norabieta-4,8,11,13-tetraen-3-one

18-Norabieta-4,8,11,13-tetraen-3-one

Common Name: 18-Norabieta-4,8,11,13-tetraen-3-one

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C19H24O/c1-12(2)14-5-8-17-15(11-14)6-7-16-13(3)18(20)9-10-19(16,17)4/h5,8,11-12H,6-7,9-10H2,1-4H3/t19-/m0/s1

InChIKey: InChIKey=CELYKPAYUQFPOB-IBGZPJMESA-N

Formula: C19H24O1

Molecular Weight: 268.39326

Exact Mass: 268.182715

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 2.04 ddd 14.8, 13.2, 4.9
1b 2.35 ddd 13.2, 5.1, 2.3
2a 2.52 m
2b 2.71 ddd 17.7, 14.8, 5.1
6a 2.83 m
6b 2.52 m
7a 2.83 m
7b 2.98 m
11 7.2 ddd 8.1
12 7.08 dd 8.1, 1.5
14 6.95 d 1.5
15 2.83 m
16 1.22 d 7
17 1.22 d 7
19 1.82 s
20 1.5 s

Carbon NMR Peaks

Position PPM
10.9
23.9
24
27
27.5
30.1
33.5
34.2
36.2
39.5
125
125.5
126.3
128.7
135.4
142.3
146.5
162.6
198.2