Spektraris NMR
Isolupinisoflavone E
Common Name: Isolupinisoflavone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O7/c1-24(2,28)19-8-13-7-12(5-6-16(13)31-19)15-11-30-18-10-17-14(22(26)21(18)23(15)27)9-20(32-17)25(3,4)29/h5-7,10-11,19-20,26,28-29H,8-9H2,1-4H3
InChIKey: InChIKey=IKQKRLWGUMCUMA-UHFFFAOYSA-N
Formula: C25H26O7
Molecular Weight: 438.470692
Exact Mass: 438.167853
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Li, Y.C., Kuo, Y.H. J Nat Prod (1997) 60, 292-3
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) | 153.9 |
| 3 (C) | 124.3 |
| 4 (C) | 181.7 |
| 5 (C) | 167.7 |
| 6 (C) | 104.8 |
| 7 (C) | 164.3 |
| 8 (CH) | 94.4 |
| 9 (C) | 153.9 |
| 10 (C) | 106.2 |
| 1' (C) | 129.6 |
| 2' (CH) | 126.7 |
| 3' (C) | 123.8 |
| 4' (C) | 161.2 |
| 5' (CH) | 109.3 |
| 6' (CH) | 129.6 |
| 1'' (CH2) | 29 |
| 2'' (CH) | 92.7 |
| 3'' (C) | 71.4 |
| 4'' (CH3) | 27.2 |
| 5'' (CH3) | 26 |
| 1''' (CH2) | 31 |
| 2''' (CH) | 90.6 |
| 3''' (C) | 71.5 |
| 4''' (CH3) | 25.6 |
| 5''' (CH3) | 25.5 |
