Spektraris NMR
[3-(4,5-diacetyloxy-2-methoxyphenyl)-4-oxochromen-7-yl] acetate
![[3-(4,5-diacetyloxy-2-methoxyphenyl)-4-oxochromen-7-yl] acetate](/nmr/static/nmr/svg/11420.svg)
Common Name: [3-(4,5-diacetyloxy-2-methoxyphenyl)-4-oxochromen-7-yl] acetate
Synonyms: [3-(4,5-diacetyloxy-2-methoxyphenyl)-4-oxochromen-7-yl] acetate
CAS Registry Number:
InChI: InChI=1S/C22H18O9/c1-11(23)29-14-5-6-15-19(7-14)28-10-17(22(15)26)16-8-20(30-12(2)24)21(31-13(3)25)9-18(16)27-4/h5-10H,1-4H3
InChIKey: InChIKey=JEGLRHUJYPUQBX-UHFFFAOYSA-N
Formula: C22H18O9
Molecular Weight: 426.373768
Exact Mass: 426.095082
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bekker, M., Malan, E., Steenkamp, J.A., Brandt, E.V. Phytochemistry (2002) 59, 415-8
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) | 154.72 |
| 3 (C) | 122.45 |
| 4 (C) | 175.07 |
| 5 (CH) | 128.15 |
| 6 (CH) | 120.14 |
| 7 (C) | 154.95 |
| 8 (CH) | 111.49 |
| 9 (C) | 157.08 |
| 10 (C) | 122.15 |
| 1' (C) | 116.84 |
| 2' (C) | 152.22 |
| 3' (CH) | 108.19 |
| 4' (C) | 147.68 |
| 5' (C) | 137.69 |
| 6' (CH) | 125.42 |
| 7a (C) | 169.34 |
| 7b (CH3) | 21 |
| 2'a (CH3) | 56.61 |
| 4'a (C) | 169.04 |
| 4'b (CH3) | 21 |
| 5'a (C) | 169.04 |
| 5'b (CH3) | 21 |
