Spektraris NMR
2,3-desmethoxy seco-isolintetralin
Common Name: 2,3-desmethoxy seco-isolintetralin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H26O6/c1-24-18-5-3-14(9-20(18)25-2)7-16(11-22)17(12-23)8-15-4-6-19-21(10-15)27-13-26-19/h3-6,9-10,16-17,22-23H,7-8,11-13H2,1-2H3/t16-,17-/m0/s1
InChIKey: InChIKey=NRCFNUXLFQWEKJ-IRXDYDNUSA-N
Formula: C21H26O6
Molecular Weight: 374.428343
Exact Mass: 374.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Satyanarayana, P., Venkateswarlu, S. Tetrahedron (1991) 47, 8931-40
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) | 132.9 |
| 2 (CH) | 108 |
| 3 (C) | 149 |
| 4 (C) | 147.5 |
| 5 (CH) | 111.3 |
| 6 (CH) | 121 |
| 7 (CH2) | 33.1 |
| 8 (CH) | 44.5 |
| 9 (CH2) | 63.1 |
| 1' (C) | 133 |
| 2' (CH) | 109 |
| 3' (C) | 150 |
| 4' (C) | 148 |
| 5' (CH) | 112.5 |
| 6' (CH) | 121.8 |
| 7' (CH2) | 33.5 |
| 8' (CH) | 44.9 |
| 9' (CH2) | 62.9 |
| 3a (CH2) | 100.8 |
| 3'a (CH3) | 55.1 |
| 4'a (CH3) | 55.7 |
