7-Oxo-18(4->3)abeo-abieta-3,8,11,13-tetraen-18-oic acid

7-Oxo-18(4->3)abeo-abieta-3,8,11,13-tetraen-18-oic acid

Common Name: 7-Oxo-18(4->3)abeo-abieta-3,8,11,13-tetraen-18-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H24O3/c1-11(2)13-5-6-16-15(9-13)18(21)10-17-12(3)14(19(22)23)7-8-20(16,17)4/h5-6,9,11,17H,7-8,10H2,1-4H3,(H,22,23)/t17-,20+/m0/s1

InChIKey: InChIKey=VZHJBWNSAMJKHJ-FXAWDEMLSA-N

Formula: C20H24O3

Molecular Weight: 312.40276

Exact Mass: 312.172545

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: No 13C data provided.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1a 1.71 m
1b 2.44 dd 11.2, 6
2a 2.68 m
2b 2.51 m
5 2.83 dd 14.2
6a 3.04 dd 18.1, 4.4
6b 2.59 dd 18.1, 14.2
11 7.35 dd 8.2
12 7.42 dd 8.2, 2
14 7.9 dd 2
15 2.93 sept 7
16 1.25 dd 7
17 1.25 dd 7
19 2.07 s
20 1.13 s