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
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 |
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 |