Spektraris NMR
(2R,3R)-2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one
Common Name: (2R,3R)-2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one
Synonyms: (2R,3R)-2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one
CAS Registry Number:
InChI: InChI=1S/C15H12O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,14-19,21H/t14-,15+/m0/s1
InChIKey: InChIKey=QIWOFDHUQPJCJF-LSDHHAIUSA-N
Formula: C15H12O7
Molecular Weight: 304.252162
Exact Mass: 304.058303
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - E. Wenkert, H.E. Gottlieb Phytochemistry (1977) 16, 1811
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanonols; 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) | 78.3 |
| 3 (CH) | 70.9 |
| 4 (C) | 198.4 |
| 5 (C) | 163.7 |
| 6 (CH) | 96.5 |
| 7 (C) | 167.1 |
| 8 (CH) | 95.5 |
| 9 (C) | 163.3 |
| 10 (C) | 100.9 |
| 1' (C) | 114.2 |
| 2' (C) | 159 |
| 3' (CH) | 103 |
| 4' (C) | 157.5 |
| 5' (CH) | 107.1 |
| 6' (CH) | 130.3 |
