Spektraris NMR
5-acetonyl-7-hydroxy-2-hydroxymethylchromone
Common Name: 5-acetonyl-7-hydroxy-2-hydroxymethylchromone
Synonyms: 5-acetonyl-7-hydroxy-2-hydroxymethylchromone
CAS Registry Number:
InChI: InChI=1S/C13H12O5/c1-7(15)2-8-3-9(16)4-12-13(8)11(17)5-10(6-14)18-12/h3-5,14,16H,2,6H2,1H3
InChIKey: InChIKey=IJAJRHZKYVCLQY-UHFFFAOYSA-N
Formula: C13H12O5
Molecular Weight: 248.23188
Exact Mass: 248.068473
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ingkaninan, K., AP, I.J., Verpoorte, R. J Nat Prod (2000) 63, 315-7
Species:
Notes: Family : Chromans, Type : Chromones; 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) | 169.5 |
| 3 (CH) | 108.7 |
| 4 (C) | 181.2 |
| 5 (C) | 139.6 |
| 6 (CH) | 119.7 |
| 7 (C) | 163.5 |
| 8 (CH) | 102 |
| 9 (C) | 161.1 |
| 10 (C) | 115.6 |
| 1' (CH2) | 50 |
| 2' (C) | 208.4 |
| 3' (CH3) | 30 |
| 2a (CH2) | 61.3 |
