Spektraris NMR
Isosenegalensein
Common Name: Isosenegalensein
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-13(2)5-10-16-21(27)20-22(28)18(14-6-8-15(26)9-7-14)12-30-24(20)17-11-19(25(3,4)29)31-23(16)17/h5-9,12,19,26-27,29H,10-11H2,1-4H3
InChIKey: InChIKey=KQLMUJOKBRYEHR-UHFFFAOYSA-N
Formula: C25H26O6
Molecular Weight: 422.471287
Exact Mass: 422.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - el-Masry, S., Amer, M.E., Abdel-Kader, M.S., Zaatout, H.H. Phytochemistry (2002) 60, 783-7
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) | 152.7 |
| 3 (C) | 123.2 |
| 4 (C) | 181.4 |
| 5 (C) | 156.2 |
| 6 (C) | 102.2 |
| 7 (C) | 164.1 |
| 8 (C) | 108.6 |
| 9 (C) | 154.9 |
| 10 (C) | 106.7 |
| 1' (C) | 122.7 |
| 2' (CH) | 130.2 |
| 3' (CH) | 115.6 |
| 4' (C) | 155.4 |
| 5' (CH) | 115.6 |
| 6' (CH) | 130.2 |
| 2'' (CH) | 91.2 |
| 3'' (CH2) | 27.1 |
| 4'' (C) | 72.3 |
| 5'' (CH3) | 24 |
| 6'' (CH3) | 25.6 |
| 1''' (CH2) | 22 |
| 2''' (CH) | 121.5 |
| 3''' (C) | 132.4 |
| 4''' (CH3) | 25.7 |
| 5''' (CH3) | 17.8 |
