Spektraris NMR
bonannione A
Common Name: bonannione A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O5/c1-15(2)5-4-6-16(3)7-12-19-20(27)13-23-24(25(19)29)21(28)14-22(30-23)17-8-10-18(26)11-9-17/h5,7-11,13,22,26-27,29H,4,6,12,14H2,1-3H3/b16-7+/t22-/m0/s1
InChIKey: InChIKey=XYIQIBWIEGCVQY-RWHUQTJRSA-N
Formula: C25H28O5
Molecular Weight: 408.487763
Exact Mass: 408.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - M. Bruno G. Savona L. Lamartina, F. Lentini Heterocycles (1985) 23, 1147
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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) | 78.8 |
| 3 (CH2) | 43.3 |
| 4 (C) | 196.2 |
| 5 (C) | 161.4 |
| 6 (C) | 107.1 |
| 7 (C) | 164.2 |
| 8 (CH) | 95.7 |
| 9 (C) | 161.2 |
| 10 (C) | 103 |
| 1' (C) | 130.7 |
| 2' (CH) | 127.9 |
| 3' (CH) | 115.7 |
| 4' (C) | 156.2 |
| 5' (CH) | 115.7 |
| 6' (CH) | 127.9 |
| 6a (CH2) | 21.1 |
| 6b (CH) | 121.4 |
| 6c (C) | 139.3 |
| 6d (CH3) | 16.2 |
| 6e (CH2) | 39.8 |
| 6f (CH2) | 26.4 |
| 6g (CH) | 123.8 |
| 6h (C) | 132 |
| 6i (CH3) | 17.7 |
| 6j (CH3) | 25.6 |
