Spektraris NMR
Kraussianone
Common Name: Kraussianone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O7/c1-24(2,30)7-6-14-17(26)11-20-21(22(14)28)23(29)16(12-31-20)15-9-13-5-8-25(3,4)32-19(13)10-18(15)27/h5,8-12,26-28,30H,6-7H2,1-4H3
InChIKey: InChIKey=KGYHISLEEHDLNF-UHFFFAOYSA-N
Formula: C25H26O7
Molecular Weight: 438.470692
Exact Mass: 438.167853
NMR Solvent: CD3COCD3
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) | 155.4 |
| 3 (C) | 120 |
| 4 (C) | 180.5 |
| 5 (C) | 158.9 |
| 6 (C) | 112.9 |
| 7 (C) | 162.2 |
| 8 (CH) | 93 |
| 9 (C) | 155.4 |
| 10 (C) | 104.4 |
| 1' (C) | 110.7 |
| 2' (C) | 156.6 |
| 3' (CH) | 103.4 |
| 4' (C) | 153.8 |
| 5' (C) | 112.6 |
| 6' (CH) | 129.5 |
| 1'' (CH2) | 17.4 |
| 2'' (CH2) | 42.5 |
| 3'' (C) | 69.2 |
| 4'' (CH3) | 29.3 |
| 5'' (CH3) | 29.3 |
| 2''' (C) | 76.3 |
| 3''' (CH) | 127.6 |
| 4''' (CH) | 121.7 |
| 5''' (CH3) | 27.9 |
| 6''' (CH3) | 27.9 |
