Spektraris NMR
Isoerysenegalensein E (lysisteisoflavone)
Common Name: Isoerysenegalensein E (lysisteisoflavone)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H26O6/c1-13(2)5-10-17-22(28)18(11-20(27)14(3)4)23(29)21-24(30)19(12-31-25(17)21)15-6-8-16(26)9-7-15/h5-9,12,20,26-29H,3,10-11H2,1-2,4H3
InChIKey: InChIKey=MHYBVRYBSLBMGT-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) | 152.8 |
| 3 (C) | 123.1 |
| 4 (C) | 181.4 |
| 5 (C) | 157.9 |
| 6 (C) | 109.2 |
| 7 (C) | 160.8 |
| 8 (C) | 107.3 |
| 9 (C) | 154 |
| 10 (C) | 105.5 |
| 1' (C) | 122.2 |
| 2' (CH) | 130.3 |
| 3' (CH) | 115.7 |
| 4' (C) | 156 |
| 5' (CH) | 115.7 |
| 6' (CH) | 130.3 |
| 1'' (CH2) | 28.6 |
| 2'' (CH) | 77.5 |
| 3'' (C) | 146.8 |
| 4'' (CH2) | 110.4 |
| 5'' (CH3) | 18.5 |
| 1''' (CH2) | 21.9 |
| 2''' (CH) | 122.2 |
| 3''' (C) | 132.3 |
| 4''' (CH3) | 25.8 |
| 5''' (CH3) | 17.9 |
