Spektraris NMR
Kaempferol 3-O-(2''-O-a-rhamnosyl-6''-O-malonyl)-b-glucoside
Common Name: Kaempferol 3-O-(2''-O-a-rhamnosyl-6''-O-malonyl)-b-glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H32O18/c1-10-20(37)23(40)25(42)29(44-10)48-28-24(41)21(38)16(9-43-18(36)8-17(34)35)46-30(28)47-27-22(39)19-14(33)6-13(32)7-15(19)45-26(27)11-2-4-12(31)5-3-11/h2-7,10,16,20-21,23-25,28-33,37-38,40-42H,8-9H2,1H3,(H,34,35)/t10-,16-,20-,21-,23+,24+,25+,28-,29-,30+/m1/s1
InChIKey: InChIKey=JTOOPMHFLOLUPJ-KJCFOITISA-N
Formula: C30H32O18
Molecular Weight: 680.56547
Exact Mass: 680.158864
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Kazuma K., Noda N., Suzuki M. Phytochemistry (2003) 62, 229-37
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) | 156.83 |
| 3 (C) | 132.67 |
| 4 (C) | 177.33 |
| 5 (C) | 161.38 |
| 6 (CH) | 98.86 |
| 7 (C) | 164.28 |
| 8 (CH) | 93.85 |
| 9 (C) | 156.5 |
| 10 (C) | 104.11 |
| 1' (C) | 120.99 |
| 2' (CH) | 130.81 |
| 3' (CH) | 115.22 |
| 4' (C) | 160.03 |
| 5' (CH) | 115.22 |
| 6' (CH) | 130.81 |
| 1'' (CH) | 98.6 |
| 2'' (CH) | 77.43 |
| 3'' (CH) | 76.98 |
| 4'' (CH) | 69.91 |
| 5'' (CH) | 73.86 |
| 6'' (CH2) | 63.39 |
| 1''' (CH) | 100.79 |
| 2''' (CH) | 70.73 |
| 3''' (CH) | 70.73 |
| 4''' (CH) | 71.98 |
| 5''' (CH) | 68.48 |
| 6''' (CH3) | 17.41 |
| 6''a (C) | 166.6 |
| 6''b (CH2) | 41.31 |
| 6''c (C) | 167.8 |
