Spektraris NMR
Kaempferol 3-(2-rhamnosylrutinoside)
Common Name: Kaempferol 3-(2-rhamnosylrutinoside)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H40O19/c1-10-19(37)23(41)26(44)31(47-10)46-9-17-21(39)25(43)30(52-32-27(45)24(42)20(38)11(2)48-32)33(50-17)51-29-22(40)18-15(36)7-14(35)8-16(18)49-28(29)12-3-5-13(34)6-4-12/h3-8,10-11,17,19-21,23-27,30-39,41-45H,9H2,1-2H3/t10-,11-,17-,19-,20-,21-,23+,24+,25+,26+,27+,30-,31+,32-,33+/m1/s1
InChIKey: InChIKey=WRXVPTMENPZUIZ-GRBYBHAGSA-N
Formula: C33H40O19
Molecular Weight: 740.660608
Exact Mass: 740.216379
NMR Solvent: CD3OD
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) | 161.22 |
| 3 (C) | 134.34 |
| 4 (C) | 179.3 |
| 5 (C) | 163.16 |
| 6 (CH) | 99.77 |
| 7 (C) | 165.6 |
| 8 (CH) | 94.75 |
| 9 (C) | 158.49 |
| 10 (C) | 105.96 |
| 1' (C) | 123.17 |
| 2' (CH) | 132.13 |
| 3' (CH) | 116.14 |
| 4' (C) | 159.03 |
| 5' (CH) | 116.14 |
| 6' (CH) | 132.13 |
| 1'' (CH) | 100.46 |
| 2'' (CH) | 79.9 |
| 3'' (CH) | 78.94 |
| 4'' (CH) | 71.97 |
| 5'' (CH) | 77.1 |
| 6'' (CH2) | 68.32 |
| 1''' (CH) | 102.59 |
| 2''' (CH) | 72.41 |
| 3''' (CH) | 72.33 |
| 4''' (CH) | 74.06 |
| 5''' (CH) | 69.91 |
| 6''' (CH3) | 17.56 |
| 1'''' (CH) | 102.29 |
| 2'''' (CH) | 72.12 |
| 3'''' (CH) | 72.33 |
| 4'''' (CH) | 73.83 |
| 5'''' (CH) | 69.75 |
| 6'''' (CH3) | 17.84 |
