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

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

Common Name: 19-Hydroxy-7-oxy-18(4 -> 3)abeo-abieta-3,8,11,13-tetraen-18-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H22O3/c1-11(2)12-4-5-16-14(8-12)18(21)9-17-15-10-23-19(22)13(15)6-7-20(16,17)3/h4-5,8,11,17H,6-7,9-10H2,1-3H3/t17-,20+/m0/s1

InChIKey: InChIKey=OVJMIKJTBCWGJQ-FXAWDEMLSA-N

Formula: C20H22O3

Molecular Weight: 310.38688

Exact Mass: 310.156895

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 1.9 ddd 11.6, 11.6, 6.5
1b 2.58 m
2a 2.58 m
2b 2.43 m
5 3.21 m
6a 2.743 ddd 7.8
6b 2.738 ddd 11.3
11 7.38 ddd 8
12 7.45 ddd 8, 1.9
14 7.93 d 1.9
15 2.95 sept 6.9
16 1.25 d 6.9
17 1.25 d 6.9
19 4.76 m
20 1.14 s

Carbon NMR Peaks

Position PPM
17.8
21.8
23.7
23.8
31.6
33.7
36.4
36.4
4
0.8
70
123.7
125.9
126.3
131.1
132.8
147.9
148.9
160.2
173.4
195.7