Spektraris NMR
Xanthohumol B
Common Name: Xanthohumol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O6/c1-21(2)18(24)10-14-16(27-21)11-17(26-3)19(20(14)25)15(23)9-6-12-4-7-13(22)8-5-12/h4-9,11,18,22,24-25H,10H2,1-3H3/b9-6+
InChIKey: InChIKey=GUQGMEWOCKDLDE-RMKNXTFCSA-N
Formula: C21H22O6
Molecular Weight: 370.39658
Exact Mass: 370.141638
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) | 130.5 |
| 3 (CH) | 115.9 |
| 4 (C) | 159.7 |
| 5 (CH) | 115.9 |
| 6 (CH) | 130.5 |
| α (CH) | 123.5 |
| β (CH) | 142.9 |
| 1' (C) | 100.4 |
| 2' (C) | 164.7 |
| 3' (C) | 104.9 |
| 4' (C) | 160.5 |
| 5' (CH) | 91.7 |
| 6' (C) | 160 |
| β' (C) | 191.8 |
| 1'' (CH2) | 25 |
| 2'' (CH) | 67.3 |
| 3'' (C) | 78.7 |
| 4'' (CH3) | 20.9 |
| 5'' (CH3) | 56 |
| 6'a (CH3) | 25.3 |
