11,19-Dihydroxy-14-methoxy-18(4->3)abeo-abieta-3,8,11,13-tetraen-18-oic acid lactone

11,19-Dihydroxy-14-methoxy-18(4->3)abeo-abieta-3,8,11,13-tetraen-18-oic acid lactone

Common Name: 11,19-Dihydroxy-14-methoxy-18(4->3)abeo-abieta-3,8,11,13-tetraen-18-oic acid lactone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C21H26O4/c1-11(2)14-9-17(22)18-13(19(14)24-4)5-6-16-15-10-25-20(23)12(15)7-8-21(16,18)3/h9,11,16,22H,5-8,10H2,1-4H3/t16-,21-/m0/s1

InChIKey: InChIKey=YQHBJMHUMJXFDN-KKSFZXQISA-N

Formula: C21H26O4

Molecular Weight: 342.42874

Exact Mass: 342.183109

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: 13C signals not annotated.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1a 1.53 m
1b 3.51 ddd 13.5, 5.4, 2
2a 2.38 m
2b 2.38 m
5 2.76 m
6a 1.77 m
6b 1.77 m
7a 2.76 m
7b 3.06 ddd 17.9, 4.6
11-OH 4.58 s
12 6.39 s
15 3.23 sept 6.9
16 1.18 d 6.9
17 1.18 d 6.9
19 4.77 ABq 17.2
20 1.14 s
14-OCH3 3.66 s

Carbon NMR Peaks

Position PPM
17.3
18.6
19.5
23.7
23.8
25.5
26.1
31.1
37.3
44
60.7
70.5
112
117.3
125.3
129.4
130.8
140
150.7
163.2
173.2