Spektraris NMR
Xanthohumol
Common Name: Xanthohumol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+
InChIKey: InChIKey=ORXQGKIUCDPEAJ-YRNVUSSQSA-N
Formula: C21H22O5
Molecular Weight: 354.397175
Exact Mass: 354.146724
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) | 125.9 |
| 2 (CH) | 130.4 |
| 3 (CH) | 115.9 |
| 4 (C) | 159.8 |
| 5 (CH) | 115.9 |
| 6 (CH) | 130.4 |
| α (CH) | 123.7 |
| β (CH) | 142.4 |
| 1' (C) | 104.5 |
| 2' (C) | 164.5 |
| 3' (C) | 107.2 |
| 4' (C) | 162.3 |
| 5' (CH) | 90.9 |
| 6' (C) | 160.4 |
| β' (C) | 191.6 |
| 1'' (CH2) | 20.9 |
| 2'' (CH) | 122.9 |
| 3'' (C) | 129.8 |
| 4'' (CH3) | 17.6 |
| 6'a (CH3) | 55.7 |
| 3''a (CH3) | 25.4 |
