Spektraris NMR
7-(2-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyloxy)-4',5,6-trihydroxyflavone
Common Name: 7-(2-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyloxy)-4',5,6-trihydroxyflavone
Synonyms: 7-(2-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyloxy)-4',5,6-trihydroxyflavone
CAS Registry Number:
InChI: InChI=1S/C26H28O15/c27-7-16-20(33)22(35)24(41-25-23(36)18(31)12(30)8-37-25)26(40-16)39-15-6-14-17(21(34)19(15)32)11(29)5-13(38-14)9-1-3-10(28)4-2-9/h1-6,12,16,18,20,22-28,30-36H,7-8H2/t12-,16-,18+,20-,22+,23-,24-,25+,26-/m1/s1
InChIKey: InChIKey=IBKVTPAWKZTCBH-MXPJCCORSA-N
Formula: C26H28O15
Molecular Weight: 580.492548
Exact Mass: 580.14282
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) | 164.1 |
| 3 (CH) | 102.5 |
| 4 (C) | 182.4 |
| 5 (C) | 146.2 |
| 6 (C) | 130.7 |
| 7 (C) | 150.8 |
| 8 (CH) | 94.6 |
| 9 (C) | 148.9 |
| 10 (C) | 106.2 |
| 1' (C) | 121.2 |
| 2' (CH) | 128.4 |
| 3' (CH) | 115.9 |
| 4' (C) | 161.2 |
| 5' (CH) | 115.9 |
| 6' (CH) | 128.4 |
| 1'' (CH) | 99.8 |
| 2'' (CH) | 82.6 |
| 3'' (CH) | 75.5 |
| 4'' (CH) | 69.2 |
| 5'' (CH) | 77.2 |
| 6'' (CH2) | 60.5 |
| 1''' (CH) | 105.2 |
| 2''' (CH) | 74.2 |
| 3''' (CH) | 75.9 |
| 4''' (CH) | 69.2 |
| 5''' (CH2) | 65.7 |
