2-(5-Hydroxy-1,3-benzodioxole-6-yl)-6-methoxybenzofuran-3-carbaldehyde

2-(5-Hydroxy-1,3-benzodioxole-6-yl)-6-methoxybenzofuran-3-carbaldehyde

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)

Carbon NMR Peaks

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