Spektraris NMR
Prenylflavonoid
Common Name: Prenylflavonoid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O7/c1-22(2,29-4)19(26)11-15-17(25)12-18(28-3)20(21(15)27)16(24)10-7-13-5-8-14(23)9-6-13/h5-10,12,19,23,25-27H,11H2,1-4H3/b10-7+
InChIKey: InChIKey=YXGBQKBRCDLZMP-JXMROGBWSA-N
Formula: C22H26O7
Molecular Weight: 402.438484
Exact Mass: 402.167853
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zhao, F., Watanabe, Y., Nozawa, H., Daikonnya, A., Kondo, K., Kitanaka, S. J Nat Prod (2005) 68, 43-9
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) | 126 |
| 2 (CH) | 130.4 |
| 3 (CH) | 115.9 |
| 4 (C) | 159.9 |
| 5 (CH) | 115.9 |
| 6 (CH) | 130.4 |
| α (CH) | 123.8 |
| β (CH) | 142.5 |
| 1' (C) | 104.8 |
| 2' (C) | 163.3 |
| 3' (C) | 106.4 |
| 4' (C) | 164.9 |
| 5' (CH) | 91.4 |
| 6' (C) | 160.6 |
| β' (C) | 191.7 |
| 1'' (CH2) | 24.3 |
| 2'' (CH) | 74.9 |
| 3'' (C) | 76.8 |
| 4'' (CH3) | 21.3 |
| 5'' (CH3) | 20.1 |
| 6'a (CH3) | 55.8 |
| 3''a (CH3) | 48.7 |
