Spektraris NMR
Desmethylxanthohumol B (DMX-B)
Common Name: Desmethylxanthohumol B (DMX-B)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O6/c1-20(2)17(24)9-13-16(26-20)10-15(23)18(19(13)25)14(22)8-5-11-3-6-12(21)7-4-11/h3-8,10,17,21,23-25H,9H2,1-2H3/b8-5+
InChIKey: InChIKey=SVMUHLDNXDJLEN-VMPITWQZSA-N
Formula: C20H20O6
Molecular Weight: 356.369963
Exact Mass: 356.125988
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Chadwick, L.R., Nikolic, D., Burdette, J.E., Overk, C.R., Bolton, J.L., van Breemen, R.B., Frohlich, R., Fong, H.H., Farnsworth, N.R., Pauli, G.F. J Nat Prod (2004) 67, 2024-32
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) | 128.5 |
| 2 (CH) | 131.2 |
| 3 (CH) | 116.9 |
| 4 (C) | 161.1 |
| 5 (CH) | 116.9 |
| 6 (CH) | 131.2 |
| α (CH) | 126.1 |
| β (CH) | 143 |
| 1' (C) | 106.2 |
| 2' (C) | 166.7 |
| 3' (CH) | 96.2 |
| 4' (C) | 164.3 |
| 5' (C) | 100.9 |
| 6' (C) | 157.2 |
| β' (C) | 194.2 |
| 2'' (C) | 79.7 |
| 3'' (CH) | 69.5 |
| 4'' (CH2) | 26.8 |
| 5'' (CH3) | 21.5 |
| 6'' (CH3) | 25.9 |
