Spektraris NMR
Myricetin-3-O-alpha-L-3''-acetylarabinofuranoside
Common Name: Myricetin-3-O-alpha-L-3''-acetylarabinofuranoside
Synonyms: Myricetin-3-O-alpha-L-3''-acetylarabinofuranoside
CAS Registry Number:
InChI: InChI=1S/C22H20O13/c1-7(24)32-20-14(6-23)34-22(18(20)31)35-21-17(30)15-10(26)4-9(25)5-13(15)33-19(21)8-2-11(27)16(29)12(28)3-8/h2-5,14,18,20,22-23,25-29,31H,6H2,1H3/t14-,18+,20-,22-/m0/s1
InChIKey: InChIKey=SRDDHGFGQXBGTD-SCCXYENXSA-N
Formula: C22H20O13
Molecular Weight: 492.387269
Exact Mass: 492.090391
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Torres-Mendoza, D., Gonzalez, J., Ortega-Barria, E., Heller, M.V., Capson, T.L., McPhail, K., Gerwick, W.H., Cubilla-Rios, L. J Nat Prod (2006) 69, 826-8
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) | 158.3 |
| 3 (C) | 134.9 |
| 4 (C) | 179.4 |
| 5 (C) | 163.1 |
| 6 (CH) | 99.8 |
| 7 (C) | 165.6 |
| 8 (CH) | 95.1 |
| 9 (C) | 158.2 |
| 10 (C) | 105.6 |
| 1' (C) | 122.5 |
| 2' (CH) | 110.1 |
| 3' (C) | 146.6 |
| 4' (C) | 136.7 |
| 5' (C) | 146.6 |
| 6' (CH) | 110.1 |
| 1'' (CH) | 109.6 |
| 2'' (CH) | 81.9 |
| 3'' (CH) | 81.7 |
| 4'' (CH) | 87.1 |
| 5'' (CH2) | 63.1 |
| 3''a (C) | 171.4 |
| 3''b (CH3) | 21.3 |
