Spektraris NMR
Xanthohumol D
Common Name: Xanthohumol D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O6/c1-12(2)17(24)10-15-18(25)11-19(27-3)20(21(15)26)16(23)9-6-13-4-7-14(22)8-5-13/h4-9,11,17,22,24-26H,1,10H2,2-3H3/b9-6+
InChIKey: InChIKey=IIWLGOCXDBSFCM-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) | 126 |
| 2 (CH) | 130.4 |
| 3 (CH) | 115.9 |
| 4 (C) | 159.8 |
| 5 (CH) | 115.9 |
| 6 (CH) | 130.4 |
| α (CH) | 123.8 |
| β (CH) | 142.8 |
| 1' (C) | 104.5 |
| 2' (C) | 165.1 |
| 3' (C) | 105.1 |
| 4' (C) | 163.2 |
| 5' (CH) | 91 |
| 6' (C) | 160.6 |
| β' (C) | 191.6 |
| 1'' (CH2) | 28.8 |
| 2'' (CH) | 73.6 |
| 3'' (C) | 148 |
| 4'' (CH2) | 109.7 |
| 5'' (CH3) | 17.3 |
| 6'a (CH3) | 55.6 |
