Triptophenolide methyl ether

Triptophenolide methyl ether

Common Name: Triptophenolide methyl ether

Synonyms:

CAS Registry Number: 74311-48-1

InChI: InChI=1S/C21H26O3/c1-12(2)13-5-7-17-15(19(13)23-4)6-8-18-16-11-24-20(22)14(16)9-10-21(17,18)3/h5,7,12,18H,6,8-11H2,1-4H3/t18-,21+/m0/s1

InChIKey: InChIKey=JQYCSQASGZODFD-GHTZIAJQSA-N

Formula: C21H26O3

Molecular Weight: 326.4293

Exact Mass: 326.1881947

NMR Solvent: CDCl3

MHz: 400 (1H)

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: No 13C data listed

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1a 1.69 ddd 12.2, 12.2, 6.3
1b 2.5 m
2a 2.5 m
2b 2.37 m
5 2.67 ddd 13.1
6a 1.9 m
6b 1.9 m
7a 2.93 ddd 18.2, 10.3, 2
7b 3.05 ddd 18.2, 7.5, 1.9
11 7.1 s
12 7.1 s
15 3.28 sept 6.9
16 1.2 ddd 6.9
17 1.22 ddd 6.9
19 4.77 ABq 17.3
20 1.01 s
14-OCH3 3.72 s