Spektraris NMR
2-Phenyl-5-(3,4,5-trimethoxyphenyl)-2H-[1,3]benzodioxolo[5,6-g]indazole-4-carbaldehyde
![2-Phenyl-5-(3,4,5-trimethoxyphenyl)-2H-[1,3]benzodioxolo[5,6-g]indazole-4-carbaldehyde](/nmr/static/nmr/svg/5858.svg)
Common Name: 2-Phenyl-5-(3,4,5-trimethoxyphenyl)-2H-[1,3]benzodioxolo[5,6-g]indazole-4-carbaldehyde
Synonyms: 2-Phenyl-5-(3,4,5-trimethoxyphenyl)-2H-[1,3]benzodioxolo[5,6-g]indazole-4-carbaldehyde
CAS Registry Number:
InChI: InChI=1S/C28H22N2O6/c1-32-24-9-16(10-25(33-2)28(24)34-3)26-18-11-22-23(36-15-35-22)12-19(18)27-20(21(26)14-31)13-30(29-27)17-7-5-4-6-8-17/h4-14H,15H2,1-3H3
InChIKey: InChIKey=WVASRKGULREOGZ-UHFFFAOYSA-N
Formula: C28H22N2O6
Molecular Weight: 482.485217
Exact Mass: 482.147786
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Castro, M.A., Miguel del Corral, M., Lopez-Vazquez, L., Garcia, P.A., San Feliciano, A. Magn Reson Chem (1985) 23, 389
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) | 125.5 |
| 2 (C) | 131.4 |
| 3 (CH) | 106.8 |
| 4 (C) | 148.4 |
| 5 (C) | 145.9 |
| 6 (CH) | 101.4 |
| 7 (C) | 150.2 |
| 8 (C) | 114.8 |
| 9 (CH) | 127.6 |
| 1' (C) | 138.5 |
| 2' (CH) | 108.8 |
| 3' (C) | 153.3 |
| 4' (C) | 140.6 |
| 5' (C) | 153.3 |
| 6' (CH) | 108.8 |
| 7' (C) | 128 |
| 8' (C) | 129.6 |
| 9' (CH) | 192.6 |
| 4a (CH2) | 101.8 |
| 9a (C) | 147.1 |
| 9b (CH) | 120.6 |
| 9c (CH) | 129.6 |
| 9d (CH) | 123.5 |
| 9e (CH) | 129.6 |
| 9f (CH) | 120.6 |
| 3'a (CH3) | 56.4 |
| 4'a (CH3) | 61 |
| 5'a (CH3) | 56.4 |
