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
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 |