Spektraris NMR
Kraussianone
Common Name: Kraussianone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O6/c1-13(2)5-6-15-18(26)11-21-22(23(15)28)24(29)17(12-30-21)16-9-14-7-8-25(3,4)31-20(14)10-19(16)27/h5,7-12,26-28H,6H2,1-4H3
InChIKey: InChIKey=BKDCZFLMVDSLJS-UHFFFAOYSA-N
Formula: C25H24O6
Molecular Weight: 420.455405
Exact Mass: 420.157289
NMR Solvent: C+A
MHz:
Calibration:
NMR references: 13C - Drewes, S.E., Horn, M.M., Munro, O.Q., Dhlamini, J.T., Meyer, J.J., Rakuambo, N.C. Phytochemistry (2002) 59, 739-47
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) | 154.7 |
| 3 (C) | 122.2 |
| 4 (C) | 181.7 |
| 5 (C) | 159.2 |
| 6 (C) | 112.5 |
| 7 (C) | 162.3 |
| 8 (CH) | 93.4 |
| 9 (C) | 155.8 |
| 10 (C) | 104.9 |
| 1' (C) | 112 |
| 2' (C) | 156.8 |
| 3' (CH) | 106.5 |
| 4' (C) | 155.2 |
| 5' (C) | 114.9 |
| 6' (CH) | 127.6 |
| 1'' (CH2) | 21.4 |
| 2'' (CH) | 121.7 |
| 3'' (C) | 132.2 |
| 4'' (CH3) | 25.6 |
| 5'' (CH3) | 17.7 |
| 2''' (C) | 76.5 |
| 3''' (CH) | 128.3 |
| 4''' (CH) | 121.4 |
| 5''' (CH3) | 28 |
| 6''' (CH3) | 28 |
