Spektraris NMR
Myricetin 4'-methyl ether 3-O-β-D-galactopyranoside
Common Name: Myricetin 4'-methyl ether 3-O-β-D-galactopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H22O13/c1-32-20-10(26)2-7(3-11(20)27)19-21(16(29)14-9(25)4-8(24)5-12(14)33-19)35-22-18(31)17(30)15(28)13(6-23)34-22/h2-5,13,15,17-18,22-28,30-31H,6H2,1H3/t13-,15+,17+,18-,22+/m0/s1
InChIKey: InChIKey=SCHVWZLYQPLPJV-BRWKRHNKSA-N
Formula: C22H22O13
Molecular Weight: 494.40315
Exact Mass: 494.106041
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Braca, A., De Tommasi, N., Mendez, J., Morelli, I., Pizza, C. Phytochemistry (1999) 51, 1121-4
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) | 157.8 |
| 3 (C) | 136.7 |
| 4 (C) | 179.1 |
| 5 (C) | 162.8 |
| 6 (CH) | 100.8 |
| 7 (C) | 165.6 |
| 8 (CH) | 95.5 |
| 9 (C) | 158 |
| 10 (C) | 104.4 |
| 1' (C) | 126.9 |
| 2' (CH) | 110.1 |
| 3' (C) | 151.4 |
| 4' (C) | 138 |
| 5' (C) | 151.4 |
| 6' (CH) | 110.1 |
| 1'' (CH) | 105.5 |
| 2'' (CH) | 73.2 |
| 3'' (CH) | 75.1 |
| 4'' (CH) | 70.1 |
| 5'' (CH) | 77.3 |
| 6'' (CH2) | 62 |
| 4'a (CH3) | 60.8 |
