Spektraris NMR
Kraussianone
Common Name: Kraussianone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O7/c1-12(2)5-6-14-16(26)10-19-20(21(14)27)22(28)25(29)15-9-13-7-8-24(3,4)32-17(13)11-18(15)30-23(25)31-19/h5,7-11,23,26-27,29H,6H2,1-4H3
InChIKey: InChIKey=JVOZCNOWAZWOLM-UHFFFAOYSA-N
Formula: C25H24O7
Molecular Weight: 436.45481
Exact Mass: 436.152203
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) | 109.6 |
| 3 (C) | 77.7 |
| 4 (C) | 191.1 |
| 5 (C) | 161.5 |
| 6 (C) | 109.5 |
| 7 (C) | 164.9 |
| 8 (CH) | 95.6 |
| 9 (C) | 157.3 |
| 10 (C) | 99.4 |
| 1' (C) | 118.3 |
| 2' (C) | 160 |
| 3' (CH) | 99.6 |
| 4' (C) | 156.4 |
| 5' (C) | 116.5 |
| 6' (CH) | 121.9 |
| 1'' (CH2) | 20.8 |
| 2'' (CH) | 121.5 |
| 3'' (C) | 132.1 |
| 4'' (CH3) | 25.5 |
| 5'' (CH3) | 17.5 |
| 2''' (C) | 76.8 |
| 3''' (CH) | 128.3 |
| 4''' (CH) | 121.6 |
| 5''' (CH3) | 27.7 |
| 6''' (CH3) | 27.8 |
