Spektraris NMR
Kraussianone
Common Name: Kraussianone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O7/c1-12(2)17(26)8-15-19(28)10-21-22(23(15)29)24(30)16(11-31-21)14-7-13-5-6-25(3,4)32-20(13)9-18(14)27/h5-7,9-11,17,26-29H,1,8H2,2-4H3
InChIKey: InChIKey=TVBQFTZUDRGVLA-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) | 154.7 |
| 3 (C) | 121.6 |
| 4 (C) | 181.9 |
| 5 (C) | 156.6 |
| 6 (C) | 112 |
| 7 (C) | 167 |
| 8 (CH) | 89.1 |
| 9 (C) | 155.6 |
| 10 (C) | 106 |
| 1' (C) | 109.6 |
| 2' (C) | 158.3 |
| 3' (CH) | 107.3 |
| 4' (C) | 157.1 |
| 5' (C) | 115.5 |
| 6' (CH) | 127.1 |
| 1'' (CH2) | 30.5 |
| 2'' (CH) | 88.5 |
| 3'' (C) | 142.8 |
| 4'' (CH3) | 16.9 |
| 5'' (CH2) | 113 |
| 2''' (C) | 76.6 |
| 3''' (CH) | 128.7 |
| 4''' (CH) | 121.3 |
| 5''' (CH3) | 28.1 |
| 6''' (CH3) | 28.1 |
