Spektraris NMR
Myricetin-3-O-alpha-L-3'',5''-diacetylarabinofuranoside
Common Name: Myricetin-3-O-alpha-L-3'',5''-diacetylarabinofuranoside
Synonyms: Myricetin-3-O-alpha-L-3'',5''-diacetylarabinofuranoside
CAS Registry Number:
InChI: InChI=1S/C24H22O14/c1-8(25)34-7-16-22(35-9(2)26)20(33)24(37-16)38-23-19(32)17-12(28)5-11(27)6-15(17)36-21(23)10-3-13(29)18(31)14(30)4-10/h3-6,16,20,22,24,27-31,33H,7H2,1-2H3/t16-,20+,22-,24-/m0/s1
InChIKey: InChIKey=PPVYGZOQVGAOSN-DMVUFUILSA-N
Formula: C24H22O14
Molecular Weight: 534.424027
Exact Mass: 534.100955
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) | 158.8 |
| 3 (C) | 134.9 |
| 4 (C) | 179.1 |
| 5 (C) | 163.2 |
| 6 (CH) | 99.5 |
| 7 (C) | 164.9 |
| 8 (CH) | 94.5 |
| 9 (C) | 157.9 |
| 10 (C) | 105.8 |
| 1' (C) | 122.1 |
| 2' (CH) | 109.6 |
| 3' (C) | 146.3 |
| 4' (C) | 136.9 |
| 5' (C) | 146.3 |
| 6' (CH) | 109.6 |
| 1'' (CH) | 109.4 |
| 2'' (CH) | 81.2 |
| 3'' (CH) | 81 |
| 4'' (CH) | 83.4 |
| 5'' (CH2) | 64.2 |
| 3''a (C) | 171.3 |
| 3''b (CH3) | 20.9 |
| 5''a (C) | 170.6 |
| 5''b (CH3) | 20.6 |
