Spektraris NMR
Lysisteisoflavanone
Common Name: Lysisteisoflavanone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O6/c1-11(2)4-5-12-6-14(16(23)9-18(12)26-3)15-10-27-19-8-13(22)7-17(24)20(19)21(15)25/h4,6-9,15,22-24H,5,10H2,1-3H3
InChIKey: InChIKey=KQGTWGSNAAKPFF-UHFFFAOYSA-N
Formula: C21H22O6
Molecular Weight: 370.39658
Exact Mass: 370.141638
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 : Isoflavanones; 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 (CH2) | 69.6 |
| 3 (CH) | 45.3 |
| 4 (C) | 197.2 |
| 5 (C) | 164.8 |
| 6 (CH) | 96.9 |
| 7 (C) | 166.3 |
| 8 (CH) | 95.5 |
| 9 (C) | 163.3 |
| 10 (C) | 101.8 |
| 1' (C) | 122.9 |
| 2' (C) | 153.8 |
| 3' (CH) | 100.7 |
| 4' (C) | 158.1 |
| 5' (C) | 113.3 |
| 6' (CH) | 128.3 |
| 1'' (CH2) | 27.9 |
| 2'' (CH) | 122.6 |
| 3'' (C) | 132.4 |
| 4'' (CH3) | 25.7 |
| 5'' (CH3) | 17.7 |
| 4'a (CH3) | 55.4 |
