Spektraris NMR
Linoxepin
Common Name: Linoxepin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H16O6/c1-23-14-4-2-10-6-11-7-25-21(22)17(11)18-12-3-5-15-19(27-9-26-15)13(12)8-24-20(14)16(10)18/h2-5,11H,6-9H2,1H3/t11-/m0/s1
InChIKey: InChIKey=CCASLFQJXHLOQU-NSHDSACASA-N
Formula: C21H16O6
Molecular Weight: 364.348935
Exact Mass: 364.094688
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Schmidt, T.J., Vossing, S., Klaes, M., Grimme, S. Planta Med (2007) 73, 1574-80
Species:
Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 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) | 128.1 |
| 2 (C) | 122.2 |
| 3 (C) | 148.5 |
| 4 (C) | 149 |
| 5 (CH) | 111.8 |
| 6 (CH) | 119.8 |
| 7 (CH2) | 36.8 |
| 8 (CH) | 34.5 |
| 9 (CH2) | 67 |
| 1' (C) | 129.4 |
| 2' (C) | 116.5 |
| 3' (C) | 144.8 |
| 4' (C) | 149.4 |
| 5' (CH) | 108.1 |
| 6' (CH) | 124.1 |
| 7' (C) | 124.4 |
| 8' (C) | 145.7 |
| 9' (C) | 168.8 |
| 4a (CH3) | 56.2 |
| 2'a (CH2) | 64.7 |
| 3'a (CH2) | 101.9 |
