Spektraris NMR
3-(3,4-dimethoxyphenyl)-1-(5-hydroxy-2,2-dimethyl-chromen-6-yl)propan-1-one
Common Name: 3-(3,4-dimethoxyphenyl)-1-(5-hydroxy-2,2-dimethyl-chromen-6-yl)propan-1-one
Synonyms: 3-(3,4-dimethoxyphenyl)-1-(5-hydroxy-2,2-dimethyl-chromen-6-yl)propan-1-one
CAS Registry Number:
InChI: InChI=1S/C22H24O5/c1-22(2)12-11-16-18(27-22)10-7-15(21(16)24)17(23)8-5-14-6-9-19(25-3)20(13-14)26-4/h6-7,9-13,24H,5,8H2,1-4H3
InChIKey: InChIKey=IJHLKMBROXTELK-UHFFFAOYSA-N
Formula: C22H24O5
Molecular Weight: 368.423792
Exact Mass: 368.162374
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Krohn K., Steingrover K., Srinivasa Rao M. Phytochemistry (2002) 61, 931-6
Species:
Notes: Family : Flavonoids, Type : Chalconoids; 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 |
|---|---|
| 1 (C) | 133.6 |
| 2 (CH) | 111.4 |
| 3 (C) | 149 |
| 4 (C) | 147.6 |
| 5 (CH) | 111.9 |
| 6 (CH) | 120.3 |
| α (CH2) | 49.9 |
| β (CH2) | 30.2 |
| 1' (C) | 113.5 |
| 2' (C) | 159.8 |
| 3' (C) | 109.4 |
| 4' (C) | 159.7 |
| 5' (CH) | 108.4 |
| 6' (CH) | 131 |
| β' (C) | 204 |
| 2'' (C) | 77.9 |
| 3'' (CH) | 128.3 |
| 4'' (CH) | 115.9 |
| 5'' (CH3) | 28.4 |
| 6'' (CH3) | 28.4 |
| 3a (CH3) | 55.95 |
| 4a (CH3) | 56.04 |
