myricetin 3-O-beta-D-glucoside

myricetin 3-O-beta-D-glucoside

Common Name: myricetin 3-O-beta-D-glucoside

Synonyms: myricetin 3-O-beta-D-glucoside

CAS Registry Number:

InChI: InChI=1S/C21H20O13/c22-5-12-15(28)17(30)18(31)21(33-12)34-20-16(29)13-8(24)3-7(23)4-11(13)32-19(20)6-1-9(25)14(27)10(26)2-6/h1-4,12,15,17-18,21-28,30-31H,5H2/t12-,15-,17+,18-,21+/m1/s1

InChIKey: InChIKey=FOHXFLPXBUAOJM-LIBJPBHASA-N

Formula: C21H20O13

Molecular Weight: 480.376533

Exact Mass: 480.090391

NMR Solvent: D+M

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) 158.97
3 (C) 135.79
4 (C) 179.44
5 (C) 163.03
6 (CH) 99.89
7 (C) 165.98
8 (CH) 94.67
9 (C) 158.41
10 (C) 105.7
1' (C) 121.97
2' (CH) 110.02
3' (C) 146.47
4' (C) 138.06
5' (C) 146.47
6' (CH) 110.02
1'' (CH) 104.38
2'' (CH) 75.72
3'' (CH) 78.4
4'' (CH) 71.11
5'' (CH) 78.2
6'' (CH2) 62.47