2-[2'-methoxy-4'-hydroxy-5'-(3-methylbut-2-enyl)phenyl]-6-hydroxybenzofuran (addisofuran A)

2-[2'-methoxy-4'-hydroxy-5'-(3-methylbut-2-enyl)phenyl]-6-hydroxybenzofuran (addisofuran A)

Common Name: 2-[2'-methoxy-4'-hydroxy-5'-(3-methylbut-2-enyl)phenyl]-6-hydroxybenzofuran (addisofuran A)

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H20O4/c1-12(2)4-5-13-8-16(19(23-3)11-17(13)22)20-9-14-6-7-15(21)10-18(14)24-20/h4,6-11,21-22H,5H2,1-3H3

InChIKey: InChIKey=XQVKBMIVACNFLX-UHFFFAOYSA-N

Formula: C20H20O4

Molecular Weight: 324.371153

Exact Mass: 324.136159

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Na, M., Hoang, D.M., Njamen, D., Mbafor, J.T., Fomum, Z.T., Thuong, P.T., Ahn, J.S., Oh, W.K. Bioorg Med Chem Lett (2007) 17, 3868-71

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
1 (C) 123.99
2 (CH) 121.07
3 (CH) 111.68
4 (C) 153.26
5 (CH) 98.15
6 (C) 154.76
α (CH) 104.26
β (C) 152.15
1' (C) 112.64
2' (C) 156.39
3' (CH) 100.11
4' (C) 155.64
5' (C) 118.59
6' (CH) 128.26
1'' (CH2) 30.01
2'' (CH) 122.23
3'' (C) 135.68
4'' (CH3) 18.19
5'' (CH3) 26.05
2'a (CH3) 55.87