Spektraris NMR
Isoquercitrin
Common Name: Isoquercitrin
Synonyms: Isoquercitrin
CAS Registry Number:
InChI: InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1
InChIKey: InChIKey=OVSQVDMCBVZWGM-QSOFNFLRSA-N
Formula: C21H20O12
Molecular Weight: 464.377128
Exact Mass: 464.095476
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) | 158.47 |
| 3 (C) | 135.61 |
| 4 (C) | 179.5 |
| 5 (C) | 163.07 |
| 6 (CH) | 99.87 |
| 7 (C) | 165.99 |
| 8 (CH) | 94.69 |
| 9 (C) | 159.02 |
| 10 (C) | 105.7 |
| 1' (C) | 123.18 |
| 2' (CH) | 115.99 |
| 3' (C) | 149.84 |
| 4' (C) | 145.91 |
| 5' (CH) | 117.54 |
| 6' (CH) | 123.08 |
| 1'' (CH) | 104.28 |
| 2'' (CH) | 75.73 |
| 3'' (CH) | 78.12 |
| 4'' (CH) | 71.22 |
| 5'' (CH) | 78.39 |
| 6'' (CH2) | 62.56 |
