Spektraris NMR
4',5,6,7-Tetraacetoxyisoflavone
Common Name: 4',5,6,7-Tetraacetoxyisoflavone
Synonyms: 4',5,6,7-Tetraacetoxyisoflavone
CAS Registry Number:
InChI: InChI=1S/C23H18O10/c1-11(24)30-16-7-5-15(6-8-16)17-10-29-18-9-19(31-12(2)25)22(32-13(3)26)23(33-14(4)27)20(18)21(17)28/h5-10H,1-4H3
InChIKey: InChIKey=UJLRWPHTVWNGCX-UHFFFAOYSA-N
Formula: C23H18O10
Molecular Weight: 454.383908
Exact Mass: 454.089997
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Carman, R.M., Russellmaynard, J.K.L., Schumann, R.C. Aust J Chem (1985) 38, 485-96
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) | 152.6 |
| 3 (C) | 125 |
| 4 (C) | 173.9 |
| 5 (C) | 142.4 |
| 6 (C) | 132.9 |
| 7 (C) | 150.7 |
| 8 (CH) | 110.4 |
| 9 (C) | 146.9 |
| 10 (C) | 116 |
| 1' (C) | 128.6 |
| 2' (CH) | 130.1 |
| 3' (CH) | 121.7 |
| 4' (C) | 154.1 |
| 5' (CH) | 121.7 |
| 6' (CH) | 130.1 |
| 5a (C) | 166.9 |
| 5b (CH3) | 21 |
| 6a (C) | 168 |
| 6b (CH3) | 20 |
| 7a (C) | 169.1 |
| 7b (CH3) | 20.6 |
| 4'a (C) | 167.1 |
| 4'b (CH3) | 20.7 |
