4H-1-benzopyran-4-one, 3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-

4H-1-benzopyran-4-one, 3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-

Common Name: 4H-1-benzopyran-4-one, 3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-

Synonyms: 4H-1-benzopyran-4-one, 3-(2-hydroxy-4-methoxyphenyl)-7-methoxy-

CAS Registry Number:

InChI: InChI=1S/C17H14O5/c1-20-10-3-5-12(15(18)7-10)14-9-22-16-8-11(21-2)4-6-13(16)17(14)19/h3-9,18H,1-2H3

InChIKey: InChIKey=ZQOPJNNVXTYJMC-UHFFFAOYSA-N

Formula: C17H14O5

Molecular Weight: 298.290705

Exact Mass: 298.084124

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Lopes, N.P., Kato, M.J., Yoshida, M. Phytochemistry (1999) 51, 29-33

Species:

Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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 (CH) 154.5
3 (C) 124.8
4 (C) 178.7
5 (CH) 127.8
6 (CH) 115.7
7 (C) 164.7
8 (CH) 104.3
9 (C) 157.9
10 (C) 117.5
1' (C) 112.8
2' (C) 157.9
3' (CH) 99.6
4' (C) 161.9
5' (CH) 107.6
6' (CH) 130.1
7a (CH3) 55.3
4'a (CH3) 55.9