Spektraris NMR
Kraussianone
Common Name: Kraussianone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H22O6/c1-24(2)7-5-13-9-15(17(26)10-18(13)30-24)16-12-29-20-11-19-14(6-8-25(3,4)31-19)22(27)21(20)23(16)28/h5-12,26-27H,1-4H3
InChIKey: InChIKey=KFPMUQSSOONJHJ-UHFFFAOYSA-N
Formula: C25H22O6
Molecular Weight: 418.439524
Exact Mass: 418.141638
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) | 154.8 |
| 3 (C) | 122.9 |
| 4 (C) | 181.9 |
| 5 (C) | 156.3 |
| 6 (C) | 115.3 |
| 7 (C) | 160.3 |
| 8 (CH) | 94.9 |
| 9 (C) | 157.1 |
| 10 (C) | 105.4 |
| 1' (C) | 112 |
| 2' (C) | 157.1 |
| 3' (CH) | 107.2 |
| 4' (C) | 155.5 |
| 5' (C) | 106 |
| 6' (CH) | 127.2 |
| 2'' (C) | 76.6 |
| 3'' (CH) | 128.6 |
| 4'' (CH) | 121.3 |
| 5'' (CH3) | 28.1 |
| 6'' (CH3) | 28.1 |
| 2''' (C) | 78.4 |
| 3''' (CH) | 128.7 |
| 4''' (CH) | 115.2 |
| 5''' (CH3) | 28.4 |
| 6''' (CH3) | 28.4 |
