Spektraris NMR
Kraussianone
Common Name: Kraussianone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O7/c1-24(2)6-5-12-7-13(16(26)9-17(12)31-24)15-11-30-19-10-18-14(22(28)21(19)23(15)29)8-20(27)25(3,4)32-18/h5-7,9-11,20,26-28H,8H2,1-4H3
InChIKey: InChIKey=PMEVOTIFTLKYSQ-UHFFFAOYSA-N
Formula: C25H24O7
Molecular Weight: 436.45481
Exact Mass: 436.152203
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Drewes, S.E., Horn, M.M., Khan, F., Munro, O.Q., Dhlamini, J.T., Rakuambo, C., Meyer, J.J. Phytochemistry (2004) 65, 1955-61
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) | 155.3 |
| 3 (C) | 122.9 |
| 4 (C) | 182.2 |
| 5 (C) | 160.1 |
| 6 (C) | 104.2 |
| 7 (C) | 160.3 |
| 8 (CH) | 95.2 |
| 9 (C) | 156.1 |
| 10 (C) | 104.9 |
| 1' (C) | 112.4 |
| 2' (C) | 157.2 |
| 3' (CH) | 107.5 |
| 4' (C) | 155.8 |
| 5' (C) | 115.5 |
| 6' (CH) | 127.4 |
| 2'' (C) | 79.1 |
| 3'' (CH) | 68.8 |
| 4'' (CH2) | 25.7 |
| 5'' (CH3) | 25.1 |
| 6'' (CH3) | 22.2 |
| 2''' (C) | 77.5 |
| 3''' (CH) | 129 |
| 4''' (CH) | 121.5 |
| 5''' (CH3) | 28.4 |
| 6''' (CH3) | 28.4 |
