Spektraris NMR
7-[(6-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)oxy]-3',4',5,6-tetrahydroxyflavone
![7-[(6-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)oxy]-3',4',5,6-tetrahydroxyflavone](/nmr/static/nmr/svg/4042.svg)
Common Name: 7-[(6-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)oxy]-3',4',5,6-tetrahydroxyflavone
Synonyms: 7-[(6-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyl)oxy]-3',4',5,6-tetrahydroxyflavone
CAS Registry Number:
InChI: InChI=1S/C26H28O16/c27-9-2-1-8(3-10(9)28)13-4-11(29)17-14(40-13)5-15(19(32)21(17)34)41-26-24(37)22(35)20(33)16(42-26)7-39-25-23(36)18(31)12(30)6-38-25/h1-5,12,16,18,20,22-28,30-37H,6-7H2/t12-,16-,18+,20-,22+,23-,24-,25+,26-/m1/s1
InChIKey: InChIKey=YUCWMYFQANRBHW-MXPJCCORSA-N
Formula: C26H28O16
Molecular Weight: 596.491953
Exact Mass: 596.137735
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Mitchell K.A., Markham K.R., Bayly M.J. Phytochemistry (2001) 56, 453-61
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) | 164.4 |
| 3 (CH) | 102.5 |
| 4 (C) | 182.2 |
| 5 (C) | 146.6 |
| 6 (C) | 130 |
| 7 (C) | 151.2 |
| 8 (CH) | 93.9 |
| 9 (C) | 149 |
| 10 (C) | 105.8 |
| 1' (C) | 121.6 |
| 2' (CH) | 113.5 |
| 3' (C) | 145.6 |
| 4' (C) | 149.7 |
| 5' (CH) | 116 |
| 6' (CH) | 119 |
| 1'' (CH) | 100.9 |
| 2'' (CH) | 73 |
| 3'' (CH) | 75.6 |
| 4'' (CH) | 69.5 |
| 5'' (CH) | 75.5 |
| 6'' (CH2) | 68.1 |
| 1''' (CH) | 103.9 |
| 2''' (CH) | 73.2 |
| 3''' (CH) | 76.4 |
| 4''' (CH) | 69.2 |
| 5''' (CH2) | 65.6 |
