2H-1-benzopyran-2-one, 4-(4-hydroxyphenyl)-5,7-dimethoxy-

2H-1-benzopyran-2-one, 4-(4-hydroxyphenyl)-5,7-dimethoxy-

Common Name: 2H-1-benzopyran-2-one, 4-(4-hydroxyphenyl)-5,7-dimethoxy-

Synonyms: 2H-1-benzopyran-2-one, 4-(4-hydroxyphenyl)-5,7-dimethoxy-

CAS Registry Number:

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

InChIKey: InChIKey=ZCQHGWFKCJPSTB-UHFFFAOYSA-N

Formula: C17H14O5

Molecular Weight: 298.290705

Exact Mass: 298.084124

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Delle Monache G., Botta B., Neto A.S., Alves de Lima R. Phytochemistry (1983) 22, 1657

Species:

Notes: Family : Flavonoids, Type : Neoflavonoids; 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) 159.4
3 (CH) 111.2
4 (C) 155.1
5 (C) 157.9
6 (CH) 95.7
7 (C) 162.8
8 (CH) 93.6
9 (C) 156.4
10 (C) 102.6
1' (C) 129.6
2' (CH) 128.6
3' (CH) 113.9
4' (C) 157.3
5' (CH) 113.9
6' (CH) 128.6
5a (CH3) 55.5
7a (CH3) 55.7