Spektraris NMR
3-(2,4-Dihydroxy-3-methylphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
Common Name: 3-(2,4-Dihydroxy-3-methylphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
Synonyms: 3-(2,4-Dihydroxy-3-methylphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
CAS Registry Number:
InChI: InChI=1S/C17H14O6/c1-8-12(18)4-3-10(16(8)20)11-7-23-14-6-9(22-2)5-13(19)15(14)17(11)21/h3-7,18-20H,1-2H3
InChIKey: InChIKey=XXEUWYHBDLDZDQ-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 |
| 3 (C) | 122.8 |
| 4 (C) | 182.1 |
| 5 (C) | 162.2 |
| 6 (CH) | 98.1 |
| 7 (C) | 166.2 |
| 8 (CH) | 92.1 |
| 9 (C) | 158.7 |
| 10 (C) | 105.6 |
| 1' (C) | 110.7 |
| 2' (C) | 154 |
| 3' (C) | 112.6 |
| 4' (C) | 157.1 |
| 5' (CH) | 107.3 |
| 6' (CH) | 127.1 |
| 7a (CH3) | 56.6 |
| 3'a (CH3) | 7.52 |
