Spektraris NMR
8-(2-O-beta-D-Glucopyranosyl-beta-D-xylopyranosyl)-4',5,7-trihydroxy-3'-methoxyflavone
Common Name: 8-(2-O-beta-D-Glucopyranosyl-beta-D-xylopyranosyl)-4',5,7-trihydroxy-3'-methoxyflavone
Synonyms: 8-(2-O-beta-D-Glucopyranosyl-beta-D-xylopyranosyl)-4',5,7-trihydroxy-3'-methoxyflavone
CAS Registry Number:
InChI: InChI=1S/C27H30O15/c1-38-16-4-9(2-3-10(16)29)15-6-13(32)18-11(30)5-12(31)19(24(18)40-15)25-26(20(34)14(33)8-39-25)42-27-23(37)22(36)21(35)17(7-28)41-27/h2-6,14,17,20-23,25-31,33-37H,7-8H2,1H3/t14-,17-,20+,21-,22+,23-,25+,26-,27+/m1/s1
InChIKey: InChIKey=XQDNNTVOWCVCQX-GWHYTMBFSA-N
Formula: C27H30O15
Molecular Weight: 594.519166
Exact Mass: 594.15847
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Yayli, N., Seymen, H., Baltaci, C. Phytochemistry (2001) 58, 607-10
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) | 166 |
| 3 (CH) | 104.11 |
| 4 (C) | 184.12 |
| 5 (C) | 162.69 |
| 6 (CH) | 100.75 |
| 7 (C) | 164.66 |
| 8 (C) | 104.04 |
| 9 (C) | 156.84 |
| 10 (C) | 105.43 |
| 1' (C) | 123.97 |
| 2' (CH) | 110.81 |
| 3' (C) | 149.3 |
| 4' (C) | 151.73 |
| 5' (CH) | 116.72 |
| 6' (CH) | 121.78 |
| 1'' (CH) | 76.04 |
| 2'' (CH) | 81.34 |
| 3'' (CH) | 77.04 |
| 4'' (CH) | 70.17 |
| 5'' (CH2) | 72.1 |
| 1''' (CH) | 105.89 |
| 2''' (CH) | 76.04 |
| 3''' (CH) | 77.92 |
| 4''' (CH) | 71.74 |
| 5''' (CH) | 75.85 |
| 6''' (CH2) | 63.05 |
| 3'a (CH3) | 56.6 |
