Spektraris NMR
3-(4-Hydroxy-2-methoxy-3-methylphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
Common Name: 3-(4-Hydroxy-2-methoxy-3-methylphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
Synonyms: 3-(4-Hydroxy-2-methoxy-3-methylphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
CAS Registry Number:
InChI: InChI=1S/C18H16O6/c1-9-13(19)5-4-11(18(9)23-3)12-8-24-15-7-10(22-2)6-14(20)16(15)17(12)21/h4-8,19-20H,1-3H3
InChIKey: InChIKey=BMQVOFPPXCCAKI-UHFFFAOYSA-N
Formula: C18H16O6
Molecular Weight: 328.316728
Exact Mass: 328.094688
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) | 155.2 |
| 3 (C) | 121.5 |
| 4 (C) | 181.4 |
| 5 (C) | 157.5 |
| 6 (CH) | 98 |
| 7 (C) | 165.8 |
| 8 (CH) | 92.6 |
| 9 (C) | 158.2 |
| 10 (C) | 106.8 |
| 1' (C) | 115.2 |
| 2' (C) | 157.3 |
| 3' (C) | 117.1 |
| 4' (C) | 157.9 |
| 5' (CH) | 111.1 |
| 6' (CH) | 132 |
| 7a (CH3) | 55.6 |
| 2'a (CH3) | 60.8 |
| 3'a (CH3) | 9.21 |
