3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one

3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one

Common Name: 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one

Synonyms: 3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one

CAS Registry Number:

InChI: InChI=1S/C17H16O6/c1-22-17-12(19)7-13-14(16(17)21)15(20)10(8-23-13)6-9-2-4-11(18)5-3-9/h2-5,7,10,18-19,21H,6,8H2,1H3

InChIKey: InChIKey=CGCVUMRAPMFWDT-UHFFFAOYSA-N

Formula: C17H16O6

Molecular Weight: 316.305992

Exact Mass: 316.094688

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Mutanyatta, J., Matapa, B.G., Shushu, D.D., Abegaz, B.M. Phytochemistry (2003) 62, 797-804

Species:

Notes: Family : Flavonoids, Type : Homoisoflavonoids; 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 (CH2) 69.8
3 (CH) 46.8
4 (C) 198.6
5 (C) 154.7
6 (C) 129.2
7 (C) 160.3
8 (CH) 96.1
9 (C) 159.7
10 (C) 102.3
11 (CH2) 31.8
1' (C) 128.7
2' (CH) 130.5
3' (CH) 115.7
4' (C) 156.6
5' (CH) 115.7
6' (CH) 130.5
6a (CH3) 60.7