Spektraris NMR
Kaempferol 3-O-b-D-glucosyl(1?2)-b-D-galactoside 7-O-b-D-glucoside
Common Name: Kaempferol 3-O-b-D-glucosyl(1?2)-b-D-galactoside 7-O-b-D-glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O21/c34-7-15-19(39)23(43)25(45)31(50-15)48-12-5-13(38)18-14(6-12)49-28(10-1-3-11(37)4-2-10)30(22(18)42)54-33-27(47)29(21(41)17(9-36)52-33)53-32-26(46)24(44)20(40)16(8-35)51-32/h1-6,15-17,19-21,23-27,29,31-41,43-47H,7-9H2/t15-,16-,17-,19-,20+,21-,23+,24+,25-,26-,27-,29+,31-,32+,33+/m1/s1
InChIKey: InChIKey=NYIGJFVDOOCMCI-AQIMKVPQSA-N
Formula: C33H40O21
Molecular Weight: 772.659418
Exact Mass: 772.206208
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Han, Y., Nishibe, S., Noguchi, Y., Jin, Z. Phytochemistry (2001) 58, 577-80
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) | 156.2 |
| 3 (C) | 133.2 |
| 4 (C) | 177.7 |
| 5 (C) | 160.9 |
| 6 (CH) | 99.4 |
| 7 (C) | 162.8 |
| 8 (CH) | 94.5 |
| 9 (C) | 156 |
| 10 (C) | 105.6 |
| 1' (C) | 120.8 |
| 2' (CH) | 131.2 |
| 3' (CH) | 115.4 |
| 4' (C) | 160.2 |
| 5' (CH) | 115.4 |
| 6' (CH) | 131.2 |
| 1'' (CH) | 98.3 |
| 2'' (CH) | 80.5 |
| 3'' (CH) | 73.4 |
| 4'' (CH) | 67.7 |
| 5'' (CH) | 75.9 |
| 6'' (CH2) | 60 |
| 1''' (CH) | 104.3 |
| 2''' (CH) | 74.5 |
| 3''' (CH) | 76.5 |
| 4''' (CH) | 69.7 |
| 5''' (CH) | 77 |
| 6''' (CH2) | 60.7 |
| 1'''' (CH) | 99.8 |
| 2'''' (CH) | 73.1 |
| 3'''' (CH) | 76.6 |
| 4'''' (CH) | 69.7 |
| 5'''' (CH) | 77.2 |
| 6'''' (CH2) | 60.8 |
