Triptophenolide

Triptophenolide

Common Name: Triptophenolide

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

CAS Registry Number: 74285-86-2

InChI: InChI=1S/C20H24O3/c1-11(2)12-4-6-16-14(18(12)21)5-7-17-15-10-23-19(22)13(15)8-9-20(16,17)3/h4,6,11,17,21H,5,7-10H2,1-3H3/t17-,20+/m0/s1

InChIKey: InChIKey=KPXIBWGPZSPABK-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: Carbon atoms in 13C spectrum not assigned.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1a 1.68 ddd 12.3, 12.3, 6.5
1b 2.51 m
2a 2.51 m
2b 2.39 m
5 2.69 ddd 13.4
6a 1.99 m
6b 1.9 m
7a 2.73 m
7b 2.73 m
11 6.93 ddd 8.2
12 7.05 ddd 8.2
14-OH 4.71 s
15 3.08 sept 7
16 1.24 ddd 7
17 1.26 ddd 7
19 4.77 ABq 17.2
20 1.01 s

Carbon NMR Peaks

Position PPM
18.2
19.6
22.4
22.5
22.7
26.9
29.7
32.6
36.2
40.9
70.5
116.3
120.5
123.4
125.1
130.9
143.9
150.8
162.8
174