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)
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 |