Spektraris NMR
6-Methoxycalopogoniumisoflavone A
Common Name: 6-Methoxycalopogoniumisoflavone A
Synonyms: 6-Methoxycalopogoniumisoflavone A
CAS Registry Number:
InChI: InChI=1S/C22H20O5/c1-22(2)10-9-15-20-16(11-18(25-4)21(15)27-22)19(23)17(12-26-20)13-5-7-14(24-3)8-6-13/h5-12H,1-4H3
InChIKey: InChIKey=QGVRYCDFFNUEAM-UHFFFAOYSA-N
Formula: C22H20O5
Molecular Weight: 364.392029
Exact Mass: 364.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yenesew, A., Midiwo, J.O., Waterman, P.G. J Nat Prod (1997) 60, 806-7
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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 |
|---|---|
| 2 (CH) | 152.7 |
| 3 (C) | 124.4 |
| 4 (C) | 175.7 |
| 5 (CH) | 105.4 |
| 6 (C) | 147.4 |
| 7 (C) | 147.6 |
| 8 (C) | 110.4 |
| 9 (C) | 147.3 |
| 10 (C) | 117.8 |
| 1' (C) | 124.7 |
| 2' (CH) | 130.4 |
| 3' (CH) | 114.1 |
| 4' (C) | 159.7 |
| 5' (CH) | 114.1 |
| 6' (CH) | 130.4 |
| 2'' (C) | 78.3 |
| 3'' (CH) | 130.4 |
| 4'' (CH) | 115.4 |
| 5'' (CH3) | 28.1 |
| 6'' (CH3) | 28.1 |
| 6a (CH3) | 56.5 |
| 4'a (CH3) | 55.4 |
