Tripdiolide

Tripdiolide

Common Name: Tripdiolide

Synonyms: Triptodiolide; Tripdiolid; 2β-Hydroxytriptolide; 2-Hydroxytriptolide; NSC163063;

CAS Registry Number: 38647-10-8

InChI: InChI=1S/C20H24O7/c1-7(2)18-13(26-18)14-20(27-14)17(3)5-10(21)12-8(6-24-15(12)22)9(17)4-11-19(20,25-11)16(18)23/h7,9-11,13-14,16,21,23H,4-6H2,1-3H3/t9-,10-,11-,13-,14-,16+,17-,18-,19+,20+/m0/s1

InChIKey: InChIKey=PUJWFVBVNFXCHZ-SQEQANQOSA-N

Formula: C20H24O7

Molecular Weight: 376.40036

Exact Mass: 376.152203

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 1.41 dd 13.8, 5.6
1b 1.83 dd 13.8
2a 4.58 dd 5.6
5 2.62 ddd 13.1, 6.3, 1.5
6a 2.2 m
6b 2.05 dd 14.7, 13.1
7a 3.34 d 5.3
11a 3.9 d 3.2
12b 3.49 dd 3.2, 0.8
14a 3.38 s
14b-OH 2.74 s
15 2.2 m
16 0.85 d 6.9
17 0.98 d 6.9
19 4.74 s
20 1.29 s

Carbon NMR Peaks

Position PPM
15.3
16.8
17.7
23.3
28.2
35.9
38.1
40.8
54.5
57.4
59.3
60
60.8
65.7
66.3
70.1
73.4
126.9
162
172.7