Spektraris NMR
Xanthohumol G
Common Name: Xanthohumol G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O7/c1-21(2,27)18(25)10-14-16(24)11-17(28-3)19(20(14)26)15(23)9-6-12-4-7-13(22)8-5-12/h4-9,11,18,22,24-27H,10H2,1-3H3/b9-6+
InChIKey: InChIKey=HQUDPNXJKFHASX-RMKNXTFCSA-N
Formula: C21H24O7
Molecular Weight: 388.411866
Exact Mass: 388.152203
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) | 131.3 |
| 3 (CH) | 116.9 |
| 4 (C) | 161.5 |
| 5 (CH) | 116.9 |
| 6 (CH) | 131.3 |
| α (CH) | 125.9 |
| β (CH) | 143.3 |
| 1' (C) | 108.6 |
| 2' (C) | 163.1 |
| 3' (CH) | 93.1 |
| 4' (C) | 167.5 |
| 5' (C) | 107 |
| 6' (C) | 167.5 |
| β' (C) | 194.8 |
| 1'' (CH2) | 25.3 |
| 2'' (CH) | 80.6 |
| 3'' (C) | 74.1 |
| 4'' (CH3) | 25.9 |
| 5'' (CH3) | 25.9 |
| 2'a (CH3) | 56.2 |
