Spektraris NMR
7-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-3',4',5,6-tetrahydroxyflavone
![7-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-3',4',5,6-tetrahydroxyflavone](/nmr/static/nmr/svg/4041.svg)
Common Name: 7-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-3',4',5,6-tetrahydroxyflavone
Synonyms: 7-[(2-O-beta-D-Glucopyranosyl-beta-D-glucopyranosyl)oxy]-3',4',5,6-tetrahydroxyflavone
CAS Registry Number:
InChI: InChI=1S/C27H30O17/c28-6-15-19(34)22(37)24(39)26(42-15)44-25-23(38)20(35)16(7-29)43-27(25)41-14-5-13-17(21(36)18(14)33)11(32)4-12(40-13)8-1-2-9(30)10(31)3-8/h1-5,15-16,19-20,22-31,33-39H,6-7H2/t15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1
InChIKey: InChIKey=KWDZNRADGXXMLJ-KETMJRJWSA-N
Formula: C27H30O17
Molecular Weight: 626.517976
Exact Mass: 626.1483
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) | 164.3 |
| 3 (CH) | 105.8 |
| 4 (C) | 182.3 |
| 5 (C) | 146.5 |
| 6 (C) | 130.6 |
| 7 (C) | 151 |
| 8 (CH) | 93.9 |
| 9 (C) | 149 |
| 10 (C) | 105.9 |
| 1' (C) | 121.6 |
| 2' (CH) | 113.4 |
| 3' (C) | 145.7 |
| 4' (C) | 149.7 |
| 5' (CH) | 115.9 |
| 6' (CH) | 118.9 |
| 1'' (CH) | 99.4 |
| 2'' (CH) | 81.6 |
| 3'' (CH) | 75.6 |
| 4'' (CH) | 69.2 |
| 5'' (CH) | 76.2 |
| 6'' (CH2) | 60.3 |
| 1''' (CH) | 103.2 |
| 2''' (CH) | 74.4 |
| 3''' (CH) | 77 |
| 4''' (CH) | 69.6 |
| 5''' (CH) | 76.7 |
| 6''' (CH2) | 60.5 |
