Spektraris NMR
Astragalin
Common Name: Astragalin
Synonyms: Astragalin
CAS Registry Number:
InChI: InChI=1S/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2/t13-,15-,17+,18-,21+/m1/s1
InChIKey: InChIKey=JPUKWEQWGBDDQB-QSOFNFLRSA-N
Formula: C21H20O11
Molecular Weight: 448.377723
Exact Mass: 448.100561
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Kazuma K., Noda N., Suzuki M. Phytochemistry (2003) 62, 229-37
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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 (C) | 158.51 |
| 3 (C) | 135.46 |
| 4 (C) | 179.53 |
| 5 (C) | 163.09 |
| 6 (CH) | 99.87 |
| 7 (C) | 165.97 |
| 8 (CH) | 94.74 |
| 9 (C) | 159.09 |
| 10 (C) | 105.75 |
| 1' (C) | 122.8 |
| 2' (CH) | 132.27 |
| 3' (CH) | 116.07 |
| 4' (C) | 161.56 |
| 5' (CH) | 116.07 |
| 6' (CH) | 132.27 |
| 1'' (CH) | 104.07 |
| 2'' (CH) | 75.74 |
| 3'' (CH) | 78.05 |
| 4'' (CH) | 71.37 |
| 5'' (CH) | 78.43 |
| 6'' (CH2) | 62.64 |
