Spektraris NMR
7-Methyl ether diarylbutane lignan
Common Name: 7-Methyl ether diarylbutane lignan
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O5/c1-13(9-15-5-8-18-20(10-15)26-12-25-18)14(2)21(24-4)16-6-7-17(22)19(11-16)23-3/h5-8,10-11,13-14,21-22H,9,12H2,1-4H3
InChIKey: InChIKey=GTPIPDMTEBZKCI-UHFFFAOYSA-N
Formula: C21H26O5
Molecular Weight: 358.428938
Exact Mass: 358.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kwon, H.S., Kim, M.J., Jeong, H.J., Yang, M.S., Park, K.H., Jeong, T.S., Lee, W.S. Bioorg Med Chem Lett (2008) 18, 194-8
Species:
Notes: Family : Lignans, Type : Lignans, Group : Dibenzylbutanes; 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) | 133.7 |
| 2 (CH) | 109.1 |
| 3 (C) | 147 |
| 4 (C) | 145.3 |
| 5 (CH) | 114 |
| 6 (CH) | 121 |
| 7 (CH) | 86.9 |
| 8 (CH) | 45.4 |
| 9 (CH3) | 11.2 |
| 1' (C) | 135.7 |
| 2' (CH) | 109.5 |
| 3' (C) | 145.6 |
| 4' (C) | 147.6 |
| 5' (CH) | 108.1 |
| 6' (CH) | 122 |
| 7' (CH2) | 37.8 |
| 8' (CH) | 36.7 |
| 9' (CH3) | 18 |
| 3a (CH3) | 56.2 |
| 7a (CH3) | 56.9 |
| 3'a (CH2) | 100.9 |
