Spektraris NMR
Kraussianone
Common Name: Kraussianone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H22O7/c1-23(2)7-5-12-9-14-17(10-15(12)31-23)29-22-25(14,28)21(27)19-18(30-22)11-16-13(20(19)26)6-8-24(3,4)32-16/h5-11,22,26,28H,1-4H3
InChIKey: InChIKey=HMLFQVDHVQECID-UHFFFAOYSA-N
Formula: C25H22O7
Molecular Weight: 434.438929
Exact Mass: 434.136553
NMR Solvent: CD3C≡N
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) | 111.2 |
| 3 (C) | 78.5 |
| 4 (C) | 193.2 |
| 5 (C) | 159.3 |
| 6 (C) | 104.6 |
| 7 (C) | 163.7 |
| 8 (CH) | 97.3 |
| 9 (C) | 159.8 |
| 10 (C) | 100.9 |
| 1' (C) | 119.3 |
| 2' (C) | 160.9 |
| 3' (CH) | 100.3 |
| 4' (C) | 157.4 |
| 5' (C) | 117.7 |
| 6' (CH) | 123.5 |
| 2'' (C) | 79.9 |
| 3'' (CH) | 128.4 |
| 4'' (CH) | 115.1 |
| 5'' (CH3) | 27.7 |
| 6'' (CH3) | 27.8 |
| 2''' (C) | 78.1 |
| 3''' (CH) | 129.9 |
| 4''' (CH) | 122.3 |
| 5''' (CH3) | 27.3 |
| 6''' (CH3) | 27.4 |
