3-(4-Hydroxy-2-methoxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one

3-(4-Hydroxy-2-methoxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one

Common Name: 3-(4-Hydroxy-2-methoxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one

Synonyms: 3-(4-Hydroxy-2-methoxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one

CAS Registry Number:

InChI: InChI=1S/C17H14O6/c1-21-10-6-13(19)16-15(7-10)23-8-12(17(16)20)11-4-3-9(18)5-14(11)22-2/h3-8,18-19H,1-2H3

InChIKey: InChIKey=WPOSILCDEOOIDV-UHFFFAOYSA-N

Formula: C17H14O6

Molecular Weight: 314.29011

Exact Mass: 314.079038

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Maver, M., Queiroz, E.F., Wolfender, J.L., Hostettmann, K. J Nat Prod (2005) 68, 1094-8

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) 157.2
3 (C) 123.8
4 (C) 182.6
5 (C) 162.4
6 (CH) 99.6
7 (C) 166.4
8 (CH) 93.2
9 (C) 157.9
10 (C) 106.1
1' (C) 112.1
2' (C) 157
3' (CH) 104.2
4' (C) 162.1
5' (CH) 108.3
6' (CH) 130.1
7a (CH3) 55.5
2'a (CH3) 56.2