Spektraris NMR
5-hydroxy-2-(4-hydroxy-2,3,5-trimethoxyphenyl)-7-methoxychromen-4-one
Common Name: 5-hydroxy-2-(4-hydroxy-2,3,5-trimethoxyphenyl)-7-methoxychromen-4-one
Synonyms: 5-hydroxy-2-(4-hydroxy-2,3,5-trimethoxyphenyl)-7-methoxychromen-4-one
CAS Registry Number:
InChI: InChI=1S/C19H18O8/c1-23-9-5-11(20)16-12(21)8-13(27-14(16)6-9)10-7-15(24-2)17(22)19(26-4)18(10)25-3/h5-8,20,22H,1-4H3
InChIKey: InChIKey=ZVQFOARRJUYDDR-UHFFFAOYSA-N
Formula: C19H18O8
Molecular Weight: 374.342155
Exact Mass: 374.100168
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Juma, B.F., Yenese, A., Midiwo, J.O., Waterman, P.G. Phytochemistry (2001) 57, 571-4
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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 (C) | 161.9 |
| 3 (CH) | 110.1 |
| 4 (C) | 182.9 |
| 5 (C) | 162.4 |
| 6 (CH) | 98.2 |
| 7 (C) | 165.8 |
| 8 (CH) | 92.8 |
| 9 (C) | 158.1 |
| 10 (C) | 102.9 |
| 1' (C) | 119.8 |
| 2' (C) | 141.4 |
| 3' (C) | 143.6 |
| 4' (C) | 149 |
| 5' (C) | 139.6 |
| 6' (CH) | 105.9 |
| 7a (CH3) | 56 |
| 2'a (CH3) | 61.3 |
| 3'a (CH3) | 61.4 |
| 5'a (CH3) | 56.3 |
