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)
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 |