Spektraris NMR
kushenol A
Common Name: kushenol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O5/c1-14(2)9-10-16(15(3)4)11-18-20(27)12-21(28)24-22(29)13-23(30-25(18)24)17-7-5-6-8-19(17)26/h5-9,12,16,23,26-28H,3,10-11,13H2,1-2,4H3/t16?,23-/m0/s1
InChIKey: InChIKey=OGBMVWVBHWHRGD-KESSSICBSA-N
Formula: C25H28O5
Molecular Weight: 408.487763
Exact Mass: 408.193674
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - L.J. Wu, T. Miyase, A. Ueno, M. Kuroyanagi, T. Noro, S. Fukushima Yakugaku Zasshi (1985) 105, 736
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) | 75.5 |
| 3 (CH2) | 42.7 |
| 4 (C) | 197.7 |
| 5 (C) | 163.1 |
| 6 (CH) | 96.6 |
| 7 (C) | 165.3 |
| 8 (C) | 108 |
| 9 (C) | 161.8 |
| 10 (C) | 103.3 |
| 1' (C) | 126.8 |
| 2' (C) | 154.7 |
| 3' (CH) | 116.3 |
| 4' (CH) | 130 |
| 5' (CH) | 120.7 |
| 6' (CH) | 127.4 |
| 8a (CH2) | 25.8 |
| 8b (CH) | 27.8 |
| 8c (CH2) | 32 |
| 8d (CH) | 124.5 |
| 8e (C) | 131.6 |
| 8f (CH3) | 17.8 |
| 8g (CH3) | 25.7 |
| 8h (C) | 111.1 |
| 8i (CH3) | 47.8 |
| 8j (CH2) | 149.2 |
