Spektraris NMR
Tripterygiol
Common Name: Tripterygiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-26-16-6-12(7-17(27-2)21(16)24)5-14-10-30-11-15(14)20(23)13-8-18(28-3)22(25)19(9-13)29-4/h6-9,14-15,20,23-25H,5,10-11H2,1-4H3/t14-,15-,20?/m0/s1
InChIKey: InChIKey=COTCWLNCVLHGEY-HGUAOMBGSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ma, J., Dey, M., Yang, H., Poulev, A., Pouleva, R., Dorn, R., Lipsky, P.E., Kennelly, E.J., Raskin, I. Phytochemistry (2007) 68, 1172-8
Species:
Notes: Family : Lignans, Type : Lignans, Group : 9-9-Monoepoxylignans; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 134.8 |
| 2 (CH) | 103.2 |
| 3 (C) | 147.6 |
| 4 (C) | 134.9 |
| 5 (C) | 147.6 |
| 6 (CH) | 103.2 |
| 7 (CH) | 82.6 |
| 8 (CH) | 53.1 |
| 9 (CH2) | 59.5 |
| 1' (C) | 131.5 |
| 2' (CH) | 105.9 |
| 3' (C) | 147.7 |
| 4' (C) | 134.2 |
| 5' (C) | 147.7 |
| 6' (CH) | 105.9 |
| 7' (CH2) | 33.2 |
| 8' (CH) | 42.5 |
| 9' (CH2) | 72.2 |
| 3a (CH3) | 55.7 |
| 5a (CH3) | 55.7 |
| 3'a (CH3) | 55.7 |
| 5'a (CH3) | 55.7 |
