Common Name: 2-(5-Hydroxy-1,3-benzodioxole-6-yl)-6-methoxybenzofuran-3-carbaldehyde
Synonyms: 2-(5-Hydroxy-1,3-benzodioxole-6-yl)-6-methoxybenzofuran-3-carbaldehyde
CAS Registry Number:
InChI: InChI=1S/C17H12O6/c1-20-9-2-3-10-12(7-18)17(23-14(10)4-9)11-5-15-16(6-13(11)19)22-8-21-15/h2-7,19H,8H2,1H3
InChIKey: InChIKey=LCDQUVGVHYDBBS-UHFFFAOYSA-N
Formula: C17H12O6
Molecular Weight: 312.274229
Exact Mass: 312.063388
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Salem, M.M., Werbovetz, K.A. J Nat Prod (2006) 69, 43-9
Species:
Notes: Family : Aromatics, Type : Stilbenes, Group : Benzofuranoids; 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)
Position | PPM |
---|---|
2 (C) | 163.5 |
3 (C) | 118.3 |
4 (CH) | 133.5 |
5 (CH) | 108.9 |
6 (C) | 159.9 |
7 (CH) | 100.5 |
8 (C) | 162.5 |
9 (C) | 109.8 |
1' (C) | 119.5 |
2' (C) | 150.4 |
3' (CH) | 94.1 |
4' (C) | 147.8 |
5' (C) | 146.7 |
6' (CH) | 100.9 |
3a (CH) | 187.7 |
6a (CH3) | 56.1 |
4'a (CH2) | 102.7 |