Triptolide

Triptolide

Common Name: Triptolide

Synonyms: Triptolid; (-)-Triptolide; PG490; PG-490; PG 490; NSC163062; NSC-163062; NSC 163062;

CAS Registry Number:

InChI: InChI=1S/C20H24O6/c1-8(2)18-13(25-18)14-20(26-14)17(3)5-4-9-10(7-23-15(9)21)11(17)6-12-19(20,24-12)16(18)22/h8,11-14,16,22H,4-7H2,1-3H3/t11-,12-,13-,14-,16+,17-,18-,19+,20+/m0/s1

InChIKey: InChIKey=DFBIRQPKNDILPW-CIVMWXNOSA-N

Formula: C20H24O6

Molecular Weight: 360.40096

Exact Mass: 360.157288

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 1.19 ddd 12.4, 12.4, 5.9
1b 1.53 ddd 12.4, 5.4, 1.2
2a 2.29 ddd 18.2
2b 2.11 m
5 2.67 m
6a 2.15 ddd 14.8, 5.9, 5.5
6b 1.94 dd 14.8, 13.3
7a 3.34 d 5.5
11a 3.87 d 3.1
12b 3.49 dd 3.1, 0.8
14a 3.39 d 10.5
14b-OH 2.71 d 10.5
15 2.22 sept 7
16 0.86 d 7
17 0.98 d 7
19 4.65 s
20 1.09 s

Carbon NMR Peaks

Position PPM
13.6
16.8
17
17.7
23.7
28.2
29.8
35.8
40.4
54.5
56.7
60
60.7
65.8
66.2
69.9
73.4
125.6
159.9
173.2